Geometry & MOs

Info

ID:	170982
PubChem CID:	75307673
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	487.11067
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	4.97
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-bromophenyl)-4-hydroxy-8-methyl-2-[(3-nitrophenyl)methyl]-3,4,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-1-one

Drug info:

PubChemData

Smile

CC1CC2CC(=O)N3C(CC(C3C4=CC(=CC=C4)OC)C)CC(=O)N2C1C5=CC(=CC=C5)OC

DOS

IR

Vibrations