Geometry & MOs

Info

ID:	251598
PubChem CID:	103105184
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	6.39
IP(EA), eV:	-10.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-ethylsulfonylethyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(C)(C)OC)C

DOS

IR

Vibrations