Geometry & MOs

Info

ID:	245840
PubChem CID:	103024158
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	27.0
Dipole, Da:	3.81
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations