Geometry & MOs

Info

ID:	326894
PubChem CID:	126688590
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	237.076786
ΔH_f, kcal/mol:	-115.11
Dipole, Da:	3.94
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCO1)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations