Geometry & MOs

Info

ID:	86493
PubChem CID:	49886123
Reduced:	ClN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	294.10093
ΔH_f, kcal/mol:	-103.94
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2,6-dimethylpyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C)O)C4=CC=C(C=C4)C)C.[Cl-]

DOS

IR

Vibrations