Geometry & MOs

Info

ID:	199694
PubChem CID:	79283040
Reduced:	N6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	129.5
Dipole, Da:	3.21
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N2CC3=CC=C(C=C3)C#N)N

DOS

IR

Vibrations