Geometry & MOs

Info

ID:	214288
PubChem CID:	84974927
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	4.11
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCCC(C2)C(=O)N

DOS

IR

Vibrations