Geometry & MOs

Info

ID:	147174
PubChem CID:	53786827
Reduced:	FO6C34H41 (1)
Stoich.:	AB6C34D41 (1)
Weight, g/mol:	446.171591
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	3.12
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOOCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCCCCCCOC=O)F

DOS

IR

Vibrations