Geometry & MOs

Info

ID:	203821
PubChem CID:	79874767
Reduced:	OF3N3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	302.135446
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=C(C=CC(=N2)C(F)(F)F)C(=O)N)C

DOS

IR

Vibrations