Geometry & MOs

Info

ID:	77361
PubChem CID:	48426271
Reduced:	ClN3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	5.52
IP(EA), eV:	-9.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations