Geometry & MOs

Info

ID:	173055
PubChem CID:	75590401
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	1.95
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3a,4,5,6-tetrahydro-2H-cyclopenta[c]pyrazol-3-ylidene)-7,7-dimethyl-6,8-dihydro-5H-imidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CCC=CCCC1C2CN(CC2C(N1)(CO)C3=CC=CC=C3)C

DOS

IR

Vibrations