Geometry & MOs

Info

ID:	326701
PubChem CID:	126688040
Reduced:	INH14C22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	133.063997
ΔH_f, kcal/mol:	114.22
Dipole, Da:	2.88
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydropyrido[4,3-c]pyridazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=C(C=C4)I)C5=CC=CC=C5C=C3

DOS

IR

Vibrations