Geometry & MOs

Info

ID:	77079
PubChem CID:	48425780
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	383.156909
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	5.08
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CSCC1=CN2C=C(C=CC2=N1)C

DOS

IR

Vibrations