Geometry & MOs

Info

ID:	251664
PubChem CID:	103105784
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	5.42
IP(EA), eV:	-9.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(3-ethylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=C(C=C(C=C2C)C)C)C(=O)OC

DOS

IR

Vibrations