Geometry & MOs

Info

ID:	252476
PubChem CID:	103111660
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	11.31
Dipole, Da:	6.33
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(3-methylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NN2C(=CC=CC2=N1)C

DOS

IR

Vibrations