Geometry & MOs

Info

ID:	14031
PubChem CID:	401786
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-193.66
Dipole, Da:	4.19
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O

DOS

IR

Vibrations