Geometry & MOs

Info

ID:	402753
PubChem CID:	135057138
Reduced:	BrSH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	270.021435
ΔH_f, kcal/mol:	59.18
Dipole, Da:	0.61
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-(2,4-dichlorophenyl)-hydroxymethyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C2=CSC=C2Br

DOS

IR

Vibrations