Geometry & MOs

Info

ID:	167929
PubChem CID:	74897534
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	515.278407
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	4.68
IP(EA), eV:	-8.9(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2C3C(NNC3C(=O)N2CCOC)C4=CC=CC=C4

DOS

IR

Vibrations