Geometry & MOs

Info

ID:	204723
PubChem CID:	80000147
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	3.03
IP(EA), eV:	-9.34(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-adamantyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N(CCO)C(=O)C12CC3CC(C1)(CC(C3)(C2)C)C

DOS

IR

Vibrations