Geometry & MOs

Info

ID:	320167
PubChem CID:	126658518
Reduced:	ClON5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	449.198238
ΔH_f, kcal/mol:	93.74
Dipole, Da:	6.73
IP(EA), eV:	-8.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-3-cyclohexa-2,4-dien-1-ylphenyl]methyl]-1-cyclohexylmethanamine

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC(=C(C=C1)OC2=NN3C(=NN=C3Cl)C=C2)C4CC=CC=C4)C(C)C

DOS

IR

Vibrations