Geometry & MOs

Info

ID:	174077
PubChem CID:	75720703
Reduced:	ClN2O2C31H41 (1)
Stoich.:	AB2C2D31E41 (1)
Weight, g/mol:	472.285656
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxohept-3-en-2-yl]-N-(2-chlorophenyl)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=C(C=C1)C)C)N(C2=CC=CC=C2Cl)C(=O)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations