Geometry & MOs

Info

ID:	36722
PubChem CID:	8011831
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-148.49
Dipole, Da:	4.67
IP(EA), eV:	-9.05(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations