Geometry & MOs

Info

ID:	369706
PubChem CID:	127335077
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	2.69
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethylanilino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations