Geometry & MOs

Info

ID:	42952
PubChem CID:	10317359
Reduced:	NOC26H33 (1)
Stoich.:	ABC26D33 (1)
Weight, g/mol:	376.117155
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	3.04
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)O)CNCC2=CC3=CC=CC=C3C=C2)C(C)(C)C

DOS

IR

Vibrations