Geometry & MOs

Info

ID:	285439
PubChem CID:	104104759
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-78.54
Dipole, Da:	1.18
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(4-hydroxypentan-2-ylamino)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(S1)C(=O)N2CCCCO2

DOS

IR

Vibrations