Geometry & MOs

Info

ID:	211449
PubChem CID:	80952323
Reduced:	ClN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	54.71
Dipole, Da:	2.14
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-methyl-6-(3-methylpyridin-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2=CC=CC=C2Cl)C3CC3

DOS

IR

Vibrations