Geometry & MOs

Info

ID:	31122
PubChem CID:	854655
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	259.076392
ΔH_f, kcal/mol:	8.72
Dipole, Da:	10.89
IP(EA), eV:	-8.78(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=S)N)OC

DOS

IR

Vibrations