Geometry & MOs

Info

ID:	189574
PubChem CID:	77875660
Reduced:	FSSiN4O7H41C44 (1)
Stoich.:	ABCD4E7F41G44 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-98.77
Dipole, Da:	6.59
IP(EA), eV:	-8.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[4-(4-methyl-6-oxo-3H-pyridazin-3-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)C1(C(=O)C2=CC=CC=C2C(=O)N1)CC3=CN(C(N3S(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[Si](C)(C)C)CF)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations