Geometry & MOs

Info

ID:	251771
PubChem CID:	103106814
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	6.7
Dipole, Da:	3.66
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(3-methoxycyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2C(=C(N=N2)C(=O)OCC)C3CC3

DOS

IR

Vibrations