Geometry & MOs

Info

ID:	252846
PubChem CID:	103114569
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	20.59
Dipole, Da:	5.49
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(2-methoxypropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C)C2=C(SC(=N2)C)C

DOS

IR

Vibrations