Geometry & MOs

Info

ID:	60689
PubChem CID:	26697419
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	317.079426
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	4.24
IP(EA), eV:	-9.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopentylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations