Geometry & MOs

Info

ID:	26972
PubChem CID:	807367
Reduced:	ClON2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	314.106671
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	5.5
IP(EA), eV:	-8.68(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations