Geometry & MOs

Info

ID:	147805
PubChem CID:	53787463
Reduced:	SN4O5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	6.78
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1H-imidazol-2-yl)ethylamino]acetic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CN=C1OC)C(C)(C2=C(C3=C(N2)C=CN=C3)S(=O)(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations