Geometry & MOs

Info

ID:	156769
PubChem CID:	56385549
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	375.107519
ΔH_f, kcal/mol:	70.74
Dipole, Da:	4.88
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations