Geometry & MOs

Info

ID:	430923
PubChem CID:	135170993
Reduced:	ClSN4O5C18H21 (1)
Stoich.:	ABC4D5E18F21 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	1.97
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-bicyclo[1.1.1]pentanyl)-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COCCOC(=O)N1CCOC2=C(C1)C=C(C=N2)NSC3=C(N=CC(=C3)Cl)OC

DOS

IR

Vibrations