Geometry & MOs

Info

ID:	89870
PubChem CID:	49965103
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	1.59
IP(EA), eV:	-9.64(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-5-(2,2-dimethoxyethyl)-3-thiophen-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations