Geometry & MOs

Info

ID:	28621
PubChem CID:	828642
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	70.15
Dipole, Da:	3.69
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethoxyphenyl)methyl]-4-[(1S,2R)-2-methylcyclohexyl]piperazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2N

DOS

IR

Vibrations