Geometry & MOs

Info

ID:	245839
PubChem CID:	103024157
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	0.91
IP(EA), eV:	-9.18(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-isoindol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations