Geometry & MOs

Info

ID:	361214
PubChem CID:	127302169
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	8.31
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCN(C2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations