Geometry & MOs

Info

ID:	413948
PubChem CID:	135086899
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	447.240959
ΔH_f, kcal/mol:	7.22
Dipole, Da:	4.63
IP(EA), eV:	-9.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-benzoyl-5-oxo-5-phenylpent-1-en-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCCC(=O)C#CC1=CCCCCC1

DOS

IR

Vibrations