Geometry & MOs

Info

ID:	167933
PubChem CID:	74897916
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	462.145868
ΔH_f, kcal/mol:	51.28
Dipole, Da:	10.25
IP(EA), eV:	-9.13(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[(4-methylphenyl)methyl]-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(=CC=C4)[N+](=O)[O-])CCCN5C=CN=C5)NN2

DOS

IR

Vibrations