Geometry & MOs

Info

ID:	129060
PubChem CID:	51068449
Reduced:	ClF2O2N3H24C31 (1)
Stoich.:	AB2C2D3E24F31 (1)
Weight, g/mol:	515.141197
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	5.37
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F)OC4=CC=CC=C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations