Geometry & MOs

Info

ID:	172200
PubChem CID:	75479067
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	3.11
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CNC3=CC=C(C=C3)C(=O)C)C

DOS

IR

Vibrations