Geometry & MOs

Info

ID:	251297
PubChem CID:	103102864
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	4.05
IP(EA), eV:	-9.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1-aminoethyl)phenyl]sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=NC=C(C=N1)C(=O)O

DOS

IR

Vibrations