Geometry & MOs

Info

ID:	296651
PubChem CID:	117587458
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	368.096141
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	6.54
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

DOS

IR

Vibrations