Geometry & MOs

Info

ID:	251726
PubChem CID:	103106325
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	4.61
IP(EA), eV:	-10.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(cyclohexylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)O)C(C)(C)C

DOS

IR

Vibrations