Geometry & MOs

Info

ID:	245835
PubChem CID:	103024144
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	32.94
Dipole, Da:	3.08
IP(EA), eV:	-8.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-indol-6-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2(CC2)C3=CC=C(C=C3)N

DOS

IR

Vibrations