Geometry & MOs

Info

ID:	244789
PubChem CID:	99381464
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	388.171082
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	3.67
IP(EA), eV:	-8.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCCC[C@H]2CC(=O)N)OC3CCCC3

DOS

IR

Vibrations