Geometry & MOs

Info

ID:	88609
PubChem CID:	49955718
Reduced:	NCl2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	400.142794
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036171
Charge, e:	-1

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNCCCOC)Cl)OC.[Cl-]

DOS

IR

Vibrations