Geometry & MOs

Info

ID:	199697
PubChem CID:	79283043
Reduced:	N3O4C11H17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-131.11
Dipole, Da:	8.96
IP(EA), eV:	-9.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[heptan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations