Geometry & MOs

Info

ID:	340315
PubChem CID:	127262326
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	186.081143
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	5.28
IP(EA), eV:	-8.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-chloro-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

CC1(C(C(=O)C1/C=C\2/OC=CC=C2)/C=C\3/OC=CC=C3)C

DOS

IR

Vibrations