Geometry & MOs

Info

ID:	253529
PubChem CID:	103119046
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	5.21
IP(EA), eV:	-10.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-cyclohexyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(CN1C(=C(N=N1)C(=O)O)CCN)CO

DOS

IR

Vibrations