Geometry & MOs

Info

ID:	88658
PubChem CID:	49955960
Reduced:	ClON2C5H8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	426.04765
ΔH_f, kcal/mol:	41.76
Dipole, Da:	4.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750023
Charge, e:	-2

Chem-info

IUPAC name:

N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dichloride

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN.[Cl-]

DOS

IR

Vibrations