Geometry & MOs

Info

ID:	368332
PubChem CID:	127327925
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	1.5
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)CNC(=O)C3=CSC=C3

DOS

IR

Vibrations