Geometry & MOs

Info

ID:	174418
PubChem CID:	75761149
Reduced:	ClN2O2C29H37 (1)
Stoich.:	AB2C2D29E37 (1)
Weight, g/mol:	489.335528
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	3.38
IP(EA), eV:	-9.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations