Geometry & MOs

Info

ID:	199686
PubChem CID:	79283032
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	3.11
IP(EA), eV:	-10.13(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C(C)N(CC#C)CC(=O)O

DOS

IR

Vibrations