Geometry & MOs

Info

ID:	252076
PubChem CID:	103108879
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	287.103669
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	6.18
IP(EA), eV:	-9.21(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(2-hydroxycyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCCC1=CC=NN1C

DOS

IR

Vibrations