Geometry & MOs

Info

ID:	84949
PubChem CID:	49870882
Reduced:	FO2N4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	444.117603
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	1.46
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=CO4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations