Geometry & MOs

Info

ID:	214295
PubChem CID:	84974968
Reduced:	N3O3C16H24 (1)
Stoich.:	A3B3C16D24 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756276
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations