Geometry & MOs

Info

ID:	169303
PubChem CID:	75086723
Reduced:	ClIO3N6H22C25 (1)
Stoich.:	ABC3D6E22F25 (1)
Weight, g/mol:	431.089991
ΔH_f, kcal/mol:	37.72
Dipole, Da:	3.22
IP(EA), eV:	-8.58(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3C(=O)N=C4C=CC=CC4=N3.[I-]

DOS

IR

Vibrations