Geometry & MOs

Info

ID:	214268
PubChem CID:	84974841
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	358.06808
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	6.03
IP(EA), eV:	-8.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

DOS

IR

Vibrations