Geometry & MOs

Info

ID:	89864
PubChem CID:	49965088
Reduced:	OS2N6H14C17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	109.02
Dipole, Da:	4.05
IP(EA), eV:	-9.72(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N

DOS

IR

Vibrations