Geometry & MOs

Info

ID:	201710
PubChem CID:	79570026
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	223.193614
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	4.8
IP(EA), eV:	-9.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylazepan-1-yl)ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CN(CCC1CCCC1=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations