Geometry & MOs

Info

ID:	159438
PubChem CID:	57280170
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	2.39
IP(EA), eV:	-9.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitroso-6-phenyl-2,4-dihydro-1H-imidazo[1,2-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCCC#C

DOS

IR

Vibrations