Geometry & MOs

Info

ID:	210152
PubChem CID:	80768629
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	73.45
Dipole, Da:	2.56
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-adamantyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N(C)C)NC2=CC=CC=C2

DOS

IR

Vibrations