Geometry & MOs

Info

ID:	153714
PubChem CID:	56313017
Reduced:	FON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	3.61
IP(EA), eV:	-8.49(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations