Geometry & MOs

Info

ID:	22071
PubChem CID:	595939
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	5.41
IP(EA), eV:	-10.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-nitroadamantane

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])C

DOS

IR

Vibrations