Geometry & MOs

Info

ID:	448890
PubChem CID:	135294338
Reduced:	SN2O2C19H30 (1)
Stoich.:	AB2C2D19E30 (1)
Weight, g/mol:	382.207885
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	3.79
IP(EA), eV:	-8.48(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-1-(5-methylthiophen-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](CCN1C2CCC1CC(C2)C)C3=CC=C(S3)OC

DOS

IR

Vibrations