Geometry & MOs

Info

ID:	302762
PubChem CID:	124394723
Reduced:	N3O6H25C27 (1)
Stoich.:	A3B6C25D27 (1)
Weight, g/mol:	393.99286
ΔH_f, kcal/mol:	-117.38
Dipole, Da:	2.82
IP(EA), eV:	-8.79(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-bromophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2OC)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations