Geometry & MOs

Info

ID:	85943
PubChem CID:	49880372
Reduced:	IN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	280.085279
ΔH_f, kcal/mol:	64.54
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000528
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C3=CC(=C(C=C3)C)C.[I-]

DOS

IR

Vibrations