Geometry & MOs

Info

ID:	148165
PubChem CID:	53787827
Reduced:	ClN4O4H27C28 (1)
Stoich.:	AB4C4D27E28 (1)
Weight, g/mol:	562.259343
ΔH_f, kcal/mol:	-58.25
Dipole, Da:	6.37
IP(EA), eV:	-9.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4,7-diphenyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazine

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=C(N=CC=C2)Cl)C(=O)OCC=CC3=CC=C(C=C3)CN4C=CN=C4)C

DOS

IR

Vibrations