Geometry & MOs

Info

ID:	245012
PubChem CID:	99432127
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	489.126003
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	4.49
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(N(N=C3)C4=CC=CC=N4)C(C)C

DOS

IR

Vibrations