Geometry & MOs

Info

ID:	146830
PubChem CID:	53755656
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	275.028396
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	0.16
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-pyrrol-1-yl-1,3-dihydro-1,4-benzodiazepine-2-thione

Drug info:

PubChemData

Smile

CC(C)CCC(=C(NC(=O)OC(C)(C)C)[N+]#N)[O-]

DOS

IR

Vibrations