Geometry & MOs

Info

ID:	251622
PubChem CID:	103105394
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	6.3
IP(EA), eV:	-10.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3,4-dimethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NOC(=N2)C)C(C)C

DOS

IR

Vibrations