Geometry & MOs

Info

ID:	416132
PubChem CID:	135089140
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-36.17
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C(C=NN3C)Cl

DOS

IR

Vibrations