Geometry & MOs

Info

ID:	390090
PubChem CID:	134997008
Reduced:	N3O7C50H57 (1)
Stoich.:	A3B7C50D57 (1)
Weight, g/mol:	280.076726
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	6.05
IP(EA), eV:	-9.15(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(4-methylphenyl)-3-phenylpyridazine

Drug info:

PubChemData

Smile

CCCCCCCCN(C1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OCCCCCCCC)C3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations