Geometry & MOs

Info

ID:	163340
PubChem CID:	57777770
Reduced:	NSCl2F2O4H17C20 (1)
Stoich.:	ABC2D2E4F17G20 (1)
Weight, g/mol:	210.140851
ΔH_f, kcal/mol:	-215.64
Dipole, Da:	3.77
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dimethyl-9,9a-dihydro-4aH-anthracene

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C(=S)NC2=C(C=C(C=C2)Cl)[C@H](O1)C3=C(C(=CC=C3)OC(F)F)Cl

DOS

IR

Vibrations