Geometry & MOs

Info

ID:

393266

PubChem CID:

135019910

Reduced:

NO2H16C20 (6)

Stoich.:

AB2C16D20 (6)

Weight, g/mol:

374.199428

ΔHf, kcal/mol:

-123.0

Dipole, Da:

13.33

IP(EA), eV:

 -8.61(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(3-aminophenyl)-5-(oxan-2-yloxymethyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC2=CC3=CC(=C2)C4=CC(=CC=C4)NC(=O)C5=CC=CC6=CC7=C(C=C65)C(=CC=C7)C(=O)NC8=CC=CC(=C8)C9=CC(=CC(=C9)COC1CCCCO1)C1=CC(=CC=C1)NC(=O)C1=CC=CC2=C1C=C1C(=C2)C=CC=C1C(=O)NC1=CC=CC(=C1)C1=CC(=CC(=C1)C1=CC(=CC=C1)NC(=O)C1=CC=CC2=C1C=C1C(=C2)C=CC=C1C(=O)NC1=CC=CC3=C1)COC1CCCCO1

DOS

IR

Vibrations