Geometry & MOs

Info

ID:	89808
PubChem CID:	49964770
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	2.42
IP(EA), eV:	-9.39(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations