Geometry & MOs

Info

ID:	320516
PubChem CID:	126661562
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	416.171162
ΔH_f, kcal/mol:	-12.44
Dipole, Da:	3.31
IP(EA), eV:	-8.45(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-3-[5-cyano-2-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN(CCNC=O)C1=CC=CC=C1N

DOS

IR

Vibrations