Geometry & MOs

Info

ID:	251101
PubChem CID:	103101481
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	6.71
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[4-(aminomethyl)phenoxy]-2-hydroxypropyl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CCS(=O)(=O)C1=CC=CC(=C1)CN)CC(=O)N

DOS

IR

Vibrations