Geometry & MOs

Info

ID:	170124
PubChem CID:	75199802
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	408.127441
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	5.46
IP(EA), eV:	-8.46(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C=CC2=CC(=C(C=C2)OC(C)C)OC

DOS

IR

Vibrations