Geometry & MOs

Info

ID:	394516
PubChem CID:	135023131
Reduced:	ClNOC21H30 (1)
Stoich.:	ABCD21E30 (1)
Weight, g/mol:	333.185942
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	5.6
IP(EA), eV:	-9.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(Z)-7-chloro-6-methylhept-5-enyl]piperidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2CCCC(C2=O)CCCC/C=C(/C)\CCl

DOS

IR

Vibrations