Geometry & MOs

Info

ID:	167917
PubChem CID:	74897229
Reduced:	ClON3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	438.101417
ΔH_f, kcal/mol:	49.74
Dipole, Da:	4.0
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-3-phenyl-5-(pyridin-3-ylmethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations