Geometry & MOs

Info

ID:

318354

PubChem CID:

126650642

Reduced:

NH26C28 (2)

Stoich.:

AB26C28 (2)

Weight, g/mol:

505.285304

ΔHf, kcal/mol:

167.91

Dipole, Da:

2.83

IP(EA), eV:

 -7.92(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-fluoro-1-[[7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(CC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(CC(C6=CC=CC=C6)C7=CC=CC=C7)C8=C(C=C(C=C8)C)C)C

DOS

IR

Vibrations