Geometry & MOs

Info

ID:	184667
PubChem CID:	77190050
Reduced:	N4O4C27H36 (1)
Stoich.:	A4B4C27D36 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	2.63
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;4-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indole

Drug info:

PubChemData

Smile

COCCCN1C2=CC=CC=C2N=C1C3CCCN(C3)CC(=O)C(COC4=CC=CC(=C4)OC)N

DOS

IR

Vibrations