Geometry & MOs

Info

ID:	447655
PubChem CID:	135284495
Reduced:	ClN3O4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	484.148903
ΔH_f, kcal/mol:	-167.9
Dipole, Da:	5.31
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-methylphenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(CC(C)(C)NC(=O)O)COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCCOC3)Cl

DOS

IR

Vibrations