Geometry & MOs

Info

ID:	25201
PubChem CID:	620955
Reduced:	NOC8H14 (1)
Stoich.:	ABC8D14 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903051
Charge, e:	0

Chem-info

IUPAC name:

1-(3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN(CC)C(=C([CH2-])[CH2-])[O-]

DOS

IR

Vibrations