Geometry & MOs

Info

ID:	25873
PubChem CID:	632200
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	386.0266
ΔH_f, kcal/mol:	-206.67
Dipole, Da:	4.05
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations