Geometry & MOs

Info

ID:	179798
PubChem CID:	76533733
Reduced:	ON3H25C27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	238.175292
ΔH_f, kcal/mol:	125.71
Dipole, Da:	10.02
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(3-trimethylsilylbut-2-enyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1(C2CCC3=C(N(N=C3C2(C=C(C1=O)C#N)C)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations