Geometry & MOs

Info

ID:	185415
PubChem CID:	77298170
Reduced:	SN3O5C31H35 (1)
Stoich.:	AB3C5D31E35 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	4.81
IP(EA), eV:	-8.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[3-(fluoromethyl)phenyl]triazol-4-yl]-3-methyloxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCOC1=C2C(=O)N(CC(N2C=C(C1=O)NC(=O)OC)C3C4=CC=CC=C4CSC5=CC=CC=C35)C(C)C

DOS

IR

Vibrations