Geometry & MOs

Info

ID:	88723
PubChem CID:	49956279
Reduced:	ClNO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	310.076545
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750878
Charge, e:	-1

Chem-info

IUPAC name:

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCC2=CC=CO2)OCC=C.[Cl-]

DOS

IR

Vibrations