Geometry & MOs

Info

ID:	395928
PubChem CID:	135026932
Reduced:	NBr2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	433.09026
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	5.16
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-N-(2-iodo-4,6-dimethylphenyl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)C1=C(C(=CC(=C1Br)O)C2CC2)Br

DOS

IR

Vibrations