Geometry & MOs

Info

ID:	199590
PubChem CID:	79268539
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-133.0
Dipole, Da:	3.81
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl(cyclohexylcarbamoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)NC1=CC=CC=C1Cl

DOS

IR

Vibrations