Geometry & MOs

Info

ID:	394515
PubChem CID:	135023130
Reduced:	ClNOC21H30 (1)
Stoich.:	ABCD21E30 (1)
Weight, g/mol:	347.201592
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	4.87
IP(EA), eV:	-9.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2CCCC(C2=O)CCCCC=C(C)CCl

DOS

IR

Vibrations