Geometry & MOs

Info

ID:	371810
PubChem CID:	131272069
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	185.05105
ΔH_f, kcal/mol:	-3.01
Dipole, Da:	4.95
IP(EA), eV:	-8.29(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-3-cyanothian-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)N)C#N

DOS

IR

Vibrations