Geometry & MOs

Info

ID:	422529
PubChem CID:	135117990
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	13.82
Dipole, Da:	5.25
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-carbonyl)-11-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)N

DOS

IR

Vibrations