Geometry & MOs

Info

ID:	285552
PubChem CID:	104111721
Reduced:	SN4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	38.04
Dipole, Da:	4.51
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-phthalazin-1-ylpentane-2,4-diamine

Drug info:

PubChemData

Smile

CC(CC(C)NC1=NC=NC2=C1SC=C2)N

DOS

IR

Vibrations