Geometry & MOs

Info

ID:	284268
PubChem CID:	104039125
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	277.226646
ΔH_f, kcal/mol:	7.63
Dipole, Da:	5.96
IP(EA), eV:	-8.55(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNC2=CC(=NC=C2)N

DOS

IR

Vibrations