Geometry & MOs

Info

ID:	174416
PubChem CID:	75761147
Reduced:	ClN2O2C29H37 (1)
Stoich.:	AB2C2D29E37 (1)
Weight, g/mol:	506.270006
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	2.11
IP(EA), eV:	-9.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(CC2CC1C2(C)C)C(=O)N(C3=CC=CC=C3)C(C4=CC=C(C=C4)Cl)C(=O)NC(C)(C)C

DOS

IR

Vibrations