Geometry & MOs

Info

ID:	370458
PubChem CID:	127338952
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	9.39
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trimethyl-N-[3-methyl-4-(oxan-4-yloxy)phenyl]-3-oxopyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC3=C(N2C)C=CC(=C3)F)NC(=O)C4CCCOC4

DOS

IR

Vibrations