Geometry & MOs

Info

ID:	222521
PubChem CID:	85305368
Reduced:	ClSO4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	353.235479
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	8.39
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-adamantylamino)methyl]-1-phenylcyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C(=CCS(=O)(=O)C2=CC=CC=C2)Cl)O

DOS

IR

Vibrations