Geometry & MOs

Info

ID:	351141
PubChem CID:	127279699
Reduced:	ClNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	327.186815
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	4.3
IP(EA), eV:	-9.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CC3CCC2C3)Cl

DOS

IR

Vibrations