Geometry & MOs

Info

ID:	386764
PubChem CID:	134982837
Reduced:	H10C11 (2)
Stoich.:	A10B11 (2)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	63.67
Dipole, Da:	0.93
IP(EA), eV:	-8.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R)-6-(4-methylphenyl)sulfonyl-6-azatetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene

Drug info:

PubChemData

Smile

CC1CC=CC(=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)C

DOS

IR

Vibrations