Geometry & MOs

Info

ID:	439299
PubChem CID:	135229067
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-pentyl-5-(2-pyridazin-3-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCC(CCO)NC1=NC=NC(=C1OCC2=NC=CC3=CC=CC=C32)C

DOS

IR

Vibrations