Geometry & MOs

Info

ID:	199601
PubChem CID:	79268794
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	3.89
IP(EA), eV:	-8.82(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[1-(3-chlorophenyl)ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C)N(CC(=O)O)C(C)(C)C)C

DOS

IR

Vibrations