Geometry & MOs

Info

ID:	89795
PubChem CID:	49964640
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	6.24
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-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=C(C=C4)OC

DOS

IR

Vibrations