Geometry & MOs

Info

ID:	29482
PubChem CID:	834102
Reduced:	NSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	36.47
Dipole, Da:	0.65
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations