Geometry & MOs

Info

ID:	388602
PubChem CID:	134989601
Reduced:	FNSiC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	221.98916
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	2.59
IP(EA), eV:	-9.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-bromo-2-hydroxycyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[Si](C)(C)/C(=C\C#N)/C1=CC=C(C=C1)F

DOS

IR

Vibrations