Geometry & MOs

Info

ID:	276775
PubChem CID:	103825144
Reduced:	NO2C14H27 (1)
Stoich.:	AB2C14D27 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-143.77
Dipole, Da:	3.31
IP(EA), eV:	-9.6(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations