Geometry & MOs

Info

ID:	375132
PubChem CID:	131472603
Reduced:	N5C10H11 (1)
Stoich.:	A5B10C11 (1)
Weight, g/mol:	240.005657
ΔH_f, kcal/mol:	91.62
Dipole, Da:	10.03
IP(EA), eV:	-9.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5,6-difluoro-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C=C(C=N2)CCN)C#N

DOS

IR

Vibrations