Geometry & MOs

Info

ID:	211418
PubChem CID:	80945673
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	303.150225
ΔH_f, kcal/mol:	43.76
Dipole, Da:	5.36
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)C2=NC=CN2CC

DOS

IR

Vibrations