Geometry & MOs

Info

ID:	174403
PubChem CID:	75761134
Reduced:	Cl2N2O2C29H36 (1)
Stoich.:	A2B2C2D29E36 (1)
Weight, g/mol:	491.278407
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	1.21
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=CC=C1Cl)Cl)N(C2=CC=CC=C2)C(=O)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations