Geometry & MOs

Info

ID:	220492
PubChem CID:	85195563
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-165.34
Dipole, Da:	3.93
IP(EA), eV:	-9.45(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxymethyl)-1-adamantyl] nitrate

Drug info:

PubChemData

Smile

CN1C2CC(C1CC(=O)C2C(=O)OC)OC

DOS

IR

Vibrations