Geometry & MOs

Info

ID:	141596
PubChem CID:	52900392
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	5.0
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)SC)OC

DOS

IR

Vibrations