Geometry & MOs

Info

ID:	358837
PubChem CID:	127296708
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	3.17
IP(EA), eV:	-9.24(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-(4-propoxyazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCCCC2

DOS

IR

Vibrations