Geometry & MOs

Info

ID:	36587
PubChem CID:	8009230
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	333.076786
ΔH_f, kcal/mol:	-49.08
Dipole, Da:	6.13
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CCN1C=C([C@H](NC1=O)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations