Geometry & MOs

Info

ID:	274717
PubChem CID:	103811247
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	2.7
IP(EA), eV:	-8.87(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)N2CCC3=CC=CC=C3CC2

DOS

IR

Vibrations