Geometry & MOs

Info

ID:	175398
PubChem CID:	75898026
Reduced:	NCl2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	369.089849
ΔH_f, kcal/mol:	-79.56
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962855
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dichlorophenyl)methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=CC(=C1)Cl)Cl)CC(COC2=CC=C(C=C2)OC)O

DOS

IR

Vibrations