Geometry & MOs

Info

ID:	85945
PubChem CID:	49880405
Reduced:	ClON3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	305.153299
ΔH_f, kcal/mol:	64.36
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750035
Charge, e:	-1

Chem-info

IUPAC name:

1-N-(4,6-dimethylpyrimidin-2-yl)-4-N,4-N-diethylbenzene-1,4-diamine;chloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations