Geometry & MOs

Info

ID:	199599
PubChem CID:	79268792
Reduced:	NSO4C12H23 (1)
Stoich.:	ABC4D12E23 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	2.74
IP(EA), eV:	-9.24(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(4,4-dimethylcycloheptyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C1CCCC1S(=O)(=O)C

DOS

IR

Vibrations