Geometry & MOs

Info

ID:	89666
PubChem CID:	49963440
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	291.071785
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	3.16
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-yl(naphthalen-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations