Geometry & MOs

Info

ID:	341722
PubChem CID:	127264415
Reduced:	ClN2O4C28H41 (1)
Stoich.:	AB2C4D28E41 (1)
Weight, g/mol:	360.1452
ΔH_f, kcal/mol:	-200.93
Dipole, Da:	5.95
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 3-nitro-4-propoxybenzoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC.Cl

DOS

IR

Vibrations