Geometry & MOs

Info

ID:	268305
PubChem CID:	103598823
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	364.139862
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	3.3
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-oxopyridin-1-yl)butyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC(=O)NCCCCN2C=CC=CC2=O)OC

DOS

IR

Vibrations