Geometry & MOs

Info

ID:	276721
PubChem CID:	103824798
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	3.45
IP(EA), eV:	-10.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromonaphthalen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)C(=O)C1=NC=NN1

DOS

IR

Vibrations