Geometry & MOs

Info

ID:	77139
PubChem CID:	48425845
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC(=O)C1=CC=CS1

DOS

IR

Vibrations