Geometry & MOs

Info

ID:	174411
PubChem CID:	75761142
Reduced:	NOC15H23 (2)
Stoich.:	ABC15D23 (2)
Weight, g/mol:	496.402879
ΔH_f, kcal/mol:	-125.72
Dipole, Da:	2.25
IP(EA), eV:	-9.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,6-trimethyl-N-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)heptan-2-yl]-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations