Geometry & MOs

Info

ID:	174396
PubChem CID:	75761127
Reduced:	NOC16H26 (2)
Stoich.:	ABC16D26 (2)
Weight, g/mol:	440.340279
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	6.06
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1)C(=O)C2CC3CC(C2C)C3(C)C

DOS

IR

Vibrations