Geometry & MOs

Info

ID:	167931
PubChem CID:	74897871
Reduced:	O4N5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-19.66
Dipole, Da:	7.4
IP(EA), eV:	-8.92(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3C(C(=O)N(C3C4=CC=C(C=C4)[N+](=O)[O-])CCN5CCOCC5)NN2

DOS

IR

Vibrations