Geometry & MOs

Info

ID:	209366
PubChem CID:	80659766
Reduced:	BrNOC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	316.11503
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	1.79
IP(EA), eV:	-9.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromoethyl)piperazin-1-yl]-cycloheptylmethanone

Drug info:

PubChemData

Smile

CCCCN(CCBr)C(=O)C1CC2CC2C1

DOS

IR

Vibrations