Geometry & MOs

Info

ID:	251342
PubChem CID:	103103302
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-169.68
Dipole, Da:	8.28
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=C(C(=C(S1)C)C)C(=O)O

DOS

IR

Vibrations