Geometry & MOs

Info

ID:	165761
PubChem CID:	74593908
Reduced:	OSN4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	306.097998
ΔH_f, kcal/mol:	86.51
Dipole, Da:	5.66
IP(EA), eV:	-8.55(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CN(C4=CC=CC=C43)CCC#N)S2

DOS

IR

Vibrations