Geometry & MOs

Info

ID:	34187
PubChem CID:	7890234
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	2.26
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations