Geometry & MOs

Info

ID:	130767
PubChem CID:	51103665
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	346.198046
ΔH_f, kcal/mol:	4.99
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2C(C)C)C(=O)NC3CCN(CC3)C

DOS

IR

Vibrations