Geometry & MOs

Info

ID:	33010
PubChem CID:	7850244
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-193.37
Dipole, Da:	3.14
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetylanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations