Geometry & MOs

Info

ID:	199683
PubChem CID:	79282897
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	6.91
IP(EA), eV:	-9.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

COCCNCC(=O)NCCC1=CC=NC=C1

DOS

IR

Vibrations