Geometry & MOs

Info

ID:	199718
PubChem CID:	79287159
Reduced:	ON6C7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	95.58
Dipole, Da:	4.78
IP(EA), eV:	-9.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-hydroxyphenyl)ethyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCNCC(=O)NCC1=NNN=N1

DOS

IR

Vibrations