Geometry & MOs

Info

ID:	150773
PubChem CID:	53790469
Reduced:	ClOF2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	2.98
IP(EA), eV:	-8.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)N)Cl)OC(F)F

DOS

IR

Vibrations