Geometry & MOs

Info

ID:	371383
PubChem CID:	127346099
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-21.57
Dipole, Da:	3.57
IP(EA), eV:	-9.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2C3CCC2C4=CC=CC=C34

DOS

IR

Vibrations