Geometry & MOs

Info

ID:	169853
PubChem CID:	75157525
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	4.21
IP(EA), eV:	-8.74(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C(=C3NOC(=N3)CCCC(=O)NCC4=CC=CC=C4OC)C=C2C=C1

DOS

IR

Vibrations