Geometry & MOs

Info

ID:

67495

PubChem CID:

46506583

Reduced:

ClN3O3H28C30 (1)

Stoich.:

AB3C3D28E30 (1)

Weight, g/mol:

499.166269

ΔHf, kcal/mol:

-49.55

Dipole, Da:

13.35

IP(EA), eV:

 -8.27(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(4-methoxyphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2C(=CC3=CC4=C5C(=C3O2)CCCN5CCC4)C(=O)NC6=CC(=CC=C6)Cl

DOS

IR

Vibrations