Geometry & MOs

Info

ID:	253491
PubChem CID:	103118762
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	22.36
Dipole, Da:	8.48
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(4-ethylcyclohexyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)CN3C(=C(N=N3)C(=O)O)CCN

DOS

IR

Vibrations