Geometry & MOs

Info

ID:	89793
PubChem CID:	49964611
Reduced:	SN4O5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	453.189986
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	4.39
IP(EA), eV:	-9.5(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CN1C(C2=C(C1=O)NN=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

DOS

IR

Vibrations