Geometry & MOs

Info

ID:	69389
PubChem CID:	46530918
Reduced:	FN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	446.131423
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	8.53
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridazin-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=CC(=CC=C2)F

DOS

IR

Vibrations