Geometry & MOs

Info

ID:	430549
PubChem CID:	135170615
Reduced:	ClN2O2F3H8C11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	218.066697
ΔH_f, kcal/mol:	-201.8
Dipole, Da:	5.35
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1O)C2=NC=C(C(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations