Geometry & MOs

Info

ID:	402744
PubChem CID:	135057107
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	220.16346
ΔH_f, kcal/mol:	17.48
Dipole, Da:	1.27
IP(EA), eV:	-8.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[bis(2-methylprop-1-enyl)boranyl]pent-4-enoic acid

Drug info:

PubChemData

Smile

CSC(=NO)CC1=CC=CC=C1

DOS

IR

Vibrations