Geometry & MOs

Info

ID:	139283
PubChem CID:	52502604
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	69.73
Dipole, Da:	3.28
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN(C1)[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)C4=C(C=CC=N4)C#N

DOS

IR

Vibrations