Geometry & MOs

Info

ID:	135407
PubChem CID:	51867534
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	348.17731
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	4.46
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N,5-dimethyl-1-[(3S)-1-methylpiperidin-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CO/N=C\C2=CC=CS2

DOS

IR

Vibrations