Geometry & MOs

Info

ID:	369141
PubChem CID:	127331374
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	3.13
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations