Geometry & MOs

Info

ID:	167927
PubChem CID:	74897532
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	5.55
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butoxyphenyl)-3-phenyl-5-(pyridin-4-ylmethyl)-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)N2CCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations