Geometry & MOs

Info

ID:	297571
PubChem CID:	117622134
Reduced:	NSC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	12.4
Dipole, Da:	3.98
IP(EA), eV:	-8.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-cyclopropylpyrimidin-5-yl)-6-(3-fluoro-2-methylphenyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

CCC(=N/C=C\S)C

DOS

IR

Vibrations