Geometry & MOs

Info

ID:	199743
PubChem CID:	79291266
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	10.21
Dipole, Da:	4.26
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

C1CC1CN2CC(=O)NC3=C2C=CN=C3

DOS

IR

Vibrations