Geometry & MOs

Info

ID:	196118
PubChem CID:	78784368
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	283.118399
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	5.83
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)N(CC=C)CC=C)OC

DOS

IR

Vibrations