Geometry & MOs

Info

ID:	341721
PubChem CID:	127264414
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	504.275486
ΔH_f, kcal/mol:	-186.38
Dipole, Da:	1.89
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=C(C=C1)O

DOS

IR

Vibrations