Geometry & MOs

Info

ID:	423527
PubChem CID:	135119674
Reduced:	FON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	4.27
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-5-yl-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC=C2F)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations