Geometry & MOs

Info

ID:	89884
PubChem CID:	49965176
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	2.25
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-4-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC(=CC=C4)OC

DOS

IR

Vibrations