Geometry & MOs

Info

ID:	369144
PubChem CID:	127331377
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	5.44
IP(EA), eV:	-8.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CSC4=CC=CC=C34

DOS

IR

Vibrations