Geometry & MOs

Info

ID:	220577
PubChem CID:	85197867
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	332.190517
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[tert-butyl(phenyl)phosphoryl]-2-methyl-4-methylidenecyclopentyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CNC2=CC=CC=C2)C(=O)N1CCC3=CC=CC=C3

DOS

IR

Vibrations