Geometry & MOs

Info

ID:	251557
PubChem CID:	103104873
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	5.52
IP(EA), eV:	-10.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxycyclohexyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations