Geometry & MOs

Info

ID:	174401
PubChem CID:	75761132
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	514.215384
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	3.09
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CO1)N(C2=CC=CC=C2)C(=O)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations