Geometry & MOs

Info

ID:	167932
PubChem CID:	74897915
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	6.82
Dipole, Da:	6.11
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-imidazol-1-ylpropyl)-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(=CC=C4)[N+](=O)[O-])C5CCCC5)NN2

DOS

IR

Vibrations