Geometry & MOs

Info

ID:	233524
PubChem CID:	91145262
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	6.17
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(C1=CN=C2N1N=CC=C2)C3=C(C=CC=C3Cl)C

DOS

IR

Vibrations