Geometry & MOs

Info

ID:	418545
PubChem CID:	135105655
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	51.01
Dipole, Da:	2.23
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-benzofuran-2-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations