Geometry & MOs

Info

ID:	326691
PubChem CID:	126688018
Reduced:	N7O12C46H67 (1)
Stoich.:	A7B12C46D67 (1)
Weight, g/mol:	381.84639
ΔH_f, kcal/mol:	-537.84
Dipole, Da:	3.97
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diiodophthalazine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)NCC(=O)NCC(=O)N(C)C1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)CNC1=O)C(=O)NCC(=O)O)O

DOS

IR

Vibrations