Geometry & MOs

Info

ID:	131107
PubChem CID:	51156987
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	368.150285
ΔH_f, kcal/mol:	-165.96
Dipole, Da:	3.52
IP(EA), eV:	-9.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C(=O)C1CC(=O)N(C1)CC2=CC=CO2

DOS

IR

Vibrations