Geometry & MOs

Info

ID:	14391
PubChem CID:	410623
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	3.69
IP(EA), eV:	-8.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)ethyl 3-amino-4-butoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)OCCNC2CCCCC2)N

DOS

IR

Vibrations