Geometry & MOs

Info

ID:	174409
PubChem CID:	75761140
Reduced:	NOC13H19 (2)
Stoich.:	ABC13D19 (2)
Weight, g/mol:	440.340279
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	3.54
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxoheptan-2-yl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C=CC)N(C1=CC=CC=C1)C(=O)C2CC3CC(C2C)C3(C)C

DOS

IR

Vibrations