Geometry & MOs

Info

ID:	411091
PubChem CID:	135083901
Reduced:	NOSC11H23 (1)
Stoich.:	ABCD11E23 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	2.84
IP(EA), eV:	-8.28(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[1-(2-phenylethynyl)cyclopropyl]butan-1-one

Drug info:

PubChemData

Smile

CCCCCC/C=N/[S@](=O)C(C)(C)C

DOS

IR

Vibrations