Geometry & MOs

Info

ID:	415237
PubChem CID:	135088229
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	5.99
IP(EA), eV:	-9.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=NN2CC(CNC(=O)C2=C1)O

DOS

IR

Vibrations