Geometry & MOs

Info

ID:	419905
PubChem CID:	135109691
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	277.109423
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	2.37
IP(EA), eV:	-8.53(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC=CC=N3)O

DOS

IR

Vibrations