Geometry & MOs

Info

ID:	89796
PubChem CID:	49964645
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	5.42
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)CC(OC)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations