Geometry & MOs

Info

ID:	199633
PubChem CID:	79274228
Reduced:	FN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	5.75
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCN(CC(=O)NC1=CC=CC=C1F)CC(=O)O

DOS

IR

Vibrations