Geometry & MOs

Info

ID:	136189
PubChem CID:	51994619
Reduced:	BrClNO3C21H26 (1)
Stoich.:	ABCD3E21F26 (1)
Weight, g/mol:	334.157382
ΔH_f, kcal/mol:	-74.91
Dipole, Da:	10.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146226
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-ethylazanium

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C[NH2+]C[C@H]2CCCO2)Br)OCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations