Geometry & MOs

Info

ID:	258674
PubChem CID:	103156183
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-174.35
Dipole, Da:	5.66
IP(EA), eV:	-9.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC(CC2CCCC2)O)C(=O)O

DOS

IR

Vibrations