Geometry & MOs

Info

ID:	20713
PubChem CID:	585348
Reduced:	ClO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	270.138658
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	2.44
IP(EA), eV:	-10.29(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 3-chloropropanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)CCCl

DOS

IR

Vibrations