Geometry & MOs

Info

ID:	129044
PubChem CID:	51067949
Reduced:	F2N3O4H27C28 (1)
Stoich.:	A2B3C4D27E28 (1)
Weight, g/mol:	511.133255
ΔH_f, kcal/mol:	-147.72
Dipole, Da:	8.99
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1C(CC(=N1)C2=CC=CC=C2F)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations