Geometry & MOs

Info

ID:	245794
PubChem CID:	103023978
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	3.47
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations