Geometry & MOs

Info

ID:	123175
PubChem CID:	50836473
Reduced:	FO3N7H18C23 (1)
Stoich.:	AB3C7D18E23 (1)
Weight, g/mol:	433.155018
ΔH_f, kcal/mol:	19.45
Dipole, Da:	2.55
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CNC(=O)C3=NC(=NO3)CN4C(=O)C=CC(=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations