Geometry & MOs

Info

ID:	268147
PubChem CID:	103598076
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	330.097998
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-2-yl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C=CC2=CC=CC=N2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations