Geometry & MOs

Info

ID:	252694
PubChem CID:	103113289
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	2.5
IP(EA), eV:	-9.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=NC=C(C=C1)C#CCN

DOS

IR

Vibrations