Geometry & MOs

Info

ID:	89799
PubChem CID:	49964711
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	443.124798
ΔH_f, kcal/mol:	-74.86
Dipole, Da:	3.7
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=C(C(=O)N2CC(OC)OC)NN=C3C4=CC=C(C=C4)C

DOS

IR

Vibrations