Geometry & MOs

Info

ID:	39782
PubChem CID:	8142267
Reduced:	BrNO2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	343.157229
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	4.89
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations