Geometry & MOs

Info

ID:	430256
PubChem CID:	135170320
Reduced:	NC12H18 (2)
Stoich.:	AB12C18 (2)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	4.31
Dipole, Da:	1.28
IP(EA), eV:	-8.43(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-9-(3,5-dimethylphenyl)sulfonyl-4,11-diazatricyclo[5.3.1.02,6]undecane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CCCCN2CCCC2)N=C)C3=C(CCC3)C(C)C

DOS

IR

Vibrations