Geometry & MOs

Info

ID:	441482
PubChem CID:	135235295
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	246.144222
ΔH_f, kcal/mol:	-102.42
Dipole, Da:	3.6
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2,4-tetramethyl-3,4,4a,9b-tetrahydro-1H-dibenzothiophene

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)C2=CNN3C2=NC(=NC3=O)N)OC)O

DOS

IR

Vibrations