Geometry & MOs

Info

ID:	36504
PubChem CID:	8007705
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	1.8
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3

DOS

IR

Vibrations