Geometry & MOs

Info

ID:	388307
PubChem CID:	134988739
Reduced:	ClOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	26.03
Dipole, Da:	2.64
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-ethenyl-2-ethylcyclobutan-1-one

Drug info:

PubChemData

Smile

CC1(N=N[C@]([S@]1=O)(C2=CC=CC=C2)Cl)C

DOS

IR

Vibrations