Geometry & MOs

Info

ID:	210574
PubChem CID:	80824469
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	262.100066
ΔH_f, kcal/mol:	60.01
Dipole, Da:	4.07
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-methylpyrazin-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC2=NC=NC(=C2C(C)C)NC

DOS

IR

Vibrations