Geometry & MOs

Info

ID:	177761
PubChem CID:	76227234
Reduced:	NCl2O6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-201.71
Dipole, Da:	6.88
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-(4-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)COC(=O)C=CC2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations