Geometry & MOs

Info

ID:	199453
PubChem CID:	79247658
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-27.1
Dipole, Da:	2.8
IP(EA), eV:	-8.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C(=C2)N[C@H](CO)C(C)C)N

DOS

IR

Vibrations