Geometry & MOs

Info

ID:	167928
PubChem CID:	74897533
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	10.06
Dipole, Da:	7.04
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butoxyphenyl)-5-(2-methoxyethyl)-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)N2CC4=CC=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations