Geometry & MOs

Info

ID:	217486
PubChem CID:	85087892
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	2.7
Dipole, Da:	9.17
IP(EA), eV:	-9.24(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1'-(5-methoxy-5-oxopentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCCOC2=CC3=CC4=NC(=O)NC4=NC3C=C2

DOS

IR

Vibrations