Geometry & MOs

Info

ID:	443022
PubChem CID:	135257423
Reduced:	NH10C13 (4)
Stoich.:	AB10C13 (4)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	228.8
Dipole, Da:	2.05
IP(EA), eV:	-8.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-2-pyrazin-2-ylpropyl)-5-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1C(NC(=NC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C15

DOS

IR

Vibrations