Geometry & MOs

Info

ID:	185506
PubChem CID:	77308516
Reduced:	ClNOC8H12 (2)
Stoich.:	ABCD8E12 (2)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-132.83
Dipole, Da:	5.09
IP(EA), eV:	-9.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropylamino)-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)OC2=CC=C(C=C2)Cl)N.Cl

DOS

IR

Vibrations