Geometry & MOs

Info

ID:	167926
PubChem CID:	74897531
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	6.1
IP(EA), eV:	-8.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butoxyphenyl)-3-phenyl-5-(2-phenylethyl)-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)N2CCCN4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations