Geometry & MOs

Info

ID:	216842
PubChem CID:	85086866
Reduced:	BrO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	308.104859
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	3.13
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenoxy-2-(2-phenoxyethylidene)pent-3-ynoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)NC=C2C=CNC(=O)C(=O)N

DOS

IR

Vibrations