Geometry & MOs

Info

ID:	330279
PubChem CID:	127247266
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	37.15
Dipole, Da:	6.93
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCCCC3C4=CC=NN4

DOS

IR

Vibrations