Geometry & MOs

Info

ID:	6507
PubChem CID:	68782
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	10.51
Dipole, Da:	1.97
IP(EA), eV:	-9.63(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-5-(2-methylphenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C

DOS

IR

Vibrations