Geometry & MOs

Info

ID:	209331
PubChem CID:	80653661
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	21.61
Dipole, Da:	1.26
IP(EA), eV:	-8.3(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[(3-methylphenyl)methylsulfanylmethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C3=CC=CC(=N3)N

DOS

IR

Vibrations