Geometry & MOs

Info

ID:	448898
PubChem CID:	135294375
Reduced:	SN2O3C24H36 (1)
Stoich.:	AB2C3D24E36 (1)
Weight, g/mol:	416.24975
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	2.26
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-acetylthiophen-2-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1CC2CCC(C1)N2CC[C@@H](C3=CC=C(S3)OC(=O)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations