Geometry & MOs

Info

ID:	274716
PubChem CID:	103811242
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-68.56
Dipole, Da:	3.9
IP(EA), eV:	-8.38(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-piperidin-2-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(CNC(=O)[C@@H]1CCCCN1)CSC

DOS

IR

Vibrations