Geometry & MOs

Info

ID:	383816
PubChem CID:	134975759
Reduced:	LiNOSC7H12 (1)
Stoich.:	ABCDE7F12 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	4.83
IP(EA), eV:	-7.25(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(3-methylbut-2-enyl)-3-prop-2-enylcyclopentan-1-one

Drug info:

PubChemData

Smile

[Li+].C/C=C/[CH-]SC(=O)N(C)C

DOS

IR

Vibrations