Geometry & MOs

Info

ID:	199586
PubChem CID:	79268535
Reduced:	ClFNO2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-139.0
Dipole, Da:	3.73
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl(heptan-3-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)Cl)N(CC(=O)O)C(C)(C)C

DOS

IR

Vibrations