Geometry & MOs

Info

ID:	203661
PubChem CID:	79855980
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	3.58
IP(EA), eV:	-8.73(2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC(C1O)CN(C)CC(C)(C)O)C

DOS

IR

Vibrations