Geometry & MOs

Info

ID:	7086
PubChem CID:	71195
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-45.99
Dipole, Da:	2.92
IP(EA), eV:	-8.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(dimethylamino)propyl]-2-methoxythioxanthen-9-ol

Drug info:

PubChemData

Smile

CN(C)CCCC1(C2=CC=CC=C2SC3=C1C=C(C=C3)OC)O

DOS

IR

Vibrations