Geometry & MOs

Info

ID:	78668
PubChem CID:	49703675
Reduced:	ClFO2N3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	423.100618
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	5.87
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations