Geometry & MOs

Info

ID:	214243
PubChem CID:	84974767
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	4.34
IP(EA), eV:	-9.17(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations