Geometry & MOs

Info

ID:	261879
PubChem CID:	103256603
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	3.75
IP(EA), eV:	-9.68(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,2-dimethylcyclohexyl)amino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1NC(COC)C(=O)O)C

DOS

IR

Vibrations