Geometry & MOs

Info

ID:	167916
PubChem CID:	74897133
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	403.14514
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	2.39
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-(4-chlorophenyl)-3-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3C(NNC3C(=O)N2CC4CCCO4)C5=CC=CC=C5)O

DOS

IR

Vibrations