Geometry & MOs

Info

ID:	333735
PubChem CID:	127252287
Reduced:	ON2C13H19 (2)
Stoich.:	AB2C13D19 (2)
Weight, g/mol:	444.140925
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	5.74
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine-4-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)CC4CCCC4)CC5CCCCC5

DOS

IR

Vibrations