Geometry & MOs

Info

ID:	130338
PubChem CID:	51075643
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	3.47
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)O)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations