Geometry & MOs

Info

ID:	174394
PubChem CID:	75760946
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	466.355929
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	3.06
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)OC

DOS

IR

Vibrations