Geometry & MOs

Info

ID:	88714
PubChem CID:	49956242
Reduced:	BrClNOC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	354.02603
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	1.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750077
Charge, e:	-1

Chem-info

IUPAC name:

N-[(3-bromo-4-methoxyphenyl)methyl]-2-phenylethanamine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2CCCCC2)Br.[Cl-]

DOS

IR

Vibrations