Geometry & MOs

Info

ID:	20678
PubChem CID:	585141
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-145.18
Dipole, Da:	2.2
IP(EA), eV:	-10.07(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3OC(=O)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations