Geometry & MOs

Info

ID:	445577
PubChem CID:	135268301
Reduced:	N3C26H29 (1)
Stoich.:	A3B26C29 (1)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	88.93
Dipole, Da:	4.31
IP(EA), eV:	-8.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-[(4-benzylphthalazin-1-yl)amino]ethyl]pyrimidine-2,5-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)C3=NN=C(C4C3CC=CC4)CC5=CC=CC=C5

DOS

IR

Vibrations