Geometry & MOs

Info

ID:	445574
PubChem CID:	135268217
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	411.242296
ΔH_f, kcal/mol:	44.85
Dipole, Da:	8.29
IP(EA), eV:	-8.85(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-N'-propyl-N'-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations