Geometry & MOs

Info

ID:	18332
PubChem CID:	539660
Reduced:	NO2C27H45 (1)
Stoich.:	AB2C27D45 (1)
Weight, g/mol:	415.34503
ΔH_f, kcal/mol:	-157.16
Dipole, Da:	1.36
IP(EA), eV:	-9.23(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-amine

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)OC1

DOS

IR

Vibrations