Geometry & MOs

Info

ID:	361216
PubChem CID:	127302171
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	21.38
Dipole, Da:	9.4
IP(EA), eV:	-9.13(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(S1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations