Geometry & MOs

Info

ID:	289238
PubChem CID:	104341365
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	47.16
Dipole, Da:	5.41
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-4-N-[(6-methylpyridin-2-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)NCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations