Geometry & MOs

Info

ID:	89797
PubChem CID:	49964663
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	442.104397
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	4.74
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-(2,2-dimethoxyethyl)-4-(4-nitrophenyl)-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)O

DOS

IR

Vibrations