Geometry & MOs

Info

ID:	154753
PubChem CID:	56314269
Reduced:	O2F3N3C25H30 (1)
Stoich.:	A2B3C3D25E30 (1)
Weight, g/mol:	454.18279
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	2.37
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations