Geometry & MOs

Info

ID:	419059
PubChem CID:	135107408
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	3.38
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methyl-4-N-[1-(6-methylpyridin-3-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1CN2CCC3(CCC(O3)CNC(=O)C4=CC=CO4)CC2

DOS

IR

Vibrations