Geometry & MOs

Info

ID:	425594
PubChem CID:	135126836
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	1.86
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methyl]-6-(oxolan-2-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)NC(=O)C=C(C)C)C(=O)OCC

DOS

IR

Vibrations