Geometry & MOs

Info

ID:	330427
PubChem CID:	127247414
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	52.8
Dipole, Da:	6.62
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NNC3=CC=CC=C32)C4=CC=NN4

DOS

IR

Vibrations