Geometry & MOs

Info

ID:	136160
PubChem CID:	51988818
Reduced:	ClFNO2C23H24 (1)
Stoich.:	ABCD2E23F24 (1)
Weight, g/mol:	412.167946
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.119419
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC(=CC=C2)Cl)C[NH2+]CCC3=CC=C(C=C3)F

DOS

IR

Vibrations