Geometry & MOs

Info

ID:	88713
PubChem CID:	49956230
Reduced:	Cl2O2N3C15H27 (1)
Stoich.:	A2B2C3D15E27 (1)
Weight, g/mol:	332.04168
ΔH_f, kcal/mol:	13.6
Dipole, Da:	49.93
IP(EA), eV:	-5.25(-5.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(3-bromo-4-methoxyphenyl)methyl]cyclohexanamine;chloride

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C2CC3(CCNCC3)OC2.[Cl-].[Cl-]

DOS

IR

Vibrations