Geometry & MOs

Info

ID:	28081
PubChem CID:	825430
Reduced:	SN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	307.076392
ΔH_f, kcal/mol:	85.84
Dipole, Da:	5.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771535
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-naphthalen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CSC2=[N+]1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations