Geometry & MOs

Info

ID:	284084
PubChem CID:	104034365
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	4.92
IP(EA), eV:	-8.4(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2-methylpyrimidin-4-yl)methyl]-2-N-propylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)NCCCCOC

DOS

IR

Vibrations