Geometry & MOs

Info

ID:	173794
PubChem CID:	75683709
Reduced:	O2N3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	17.07
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089079
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(NN=C3N=C4C2=C(OC4)[O-])C

DOS

IR

Vibrations