Geometry & MOs

Info

ID:	993
PubChem CID:	3635
Reduced:	SN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	370.171499
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	3.83
IP(EA), eV:	-8.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(diethylamino)propylamino]-4-(hydroxymethyl)thioxanthen-9-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O

DOS

IR

Vibrations