Geometry & MOs

Info

ID:	164034
PubChem CID:	74381577
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	310.178024
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	4.08
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-methylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)propanoate

Drug info:

PubChemData

Smile

C1CCN(CC1)CCOC2=CC3=C(C=C2)C(=O)C4C=CC(=CC4=N3)Cl

DOS

IR

Vibrations