Geometry & MOs

Info

ID:	84032
PubChem CID:	49863482
Reduced:	ON4C30H36 (1)
Stoich.:	AB4C30D36 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	29.23
Dipole, Da:	3.83
IP(EA), eV:	-8.11(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4[C@@]5(CCN4C[C@H]3C=C)CNC6=C5C=CC(=C6)O)NC7=CC=CC=C27

DOS

IR

Vibrations