Geometry & MOs

Info

ID:	199503
PubChem CID:	79256773
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	3.13
IP(EA), eV:	-9.75(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(tert-butylamino)acetyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations