Geometry & MOs

Info

ID:	49057
PubChem CID:	11528662
Reduced:	NSCl2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	10.69
Dipole, Da:	2.34
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-fluorophenyl)-4-hydroxybut-2-ynoate

Drug info:

PubChemData

Smile

C1CNCCC2=C1C(=C(S2)Cl)Cl

DOS

IR

Vibrations