Geometry & MOs

Info

ID:	199690
PubChem CID:	79283036
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	3.85
IP(EA), eV:	-9.06(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN(CC(=O)O)C(=O)NCCN1CCNCC1

DOS

IR

Vibrations