Geometry & MOs

Info

ID:	216675
PubChem CID:	85086594
Reduced:	ClN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	290.01064
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	2.22
IP(EA), eV:	-9.87(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-[2-(3-fluorophenyl)ethenyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1C2=C(C=CC(=C2)Cl)C(=O)N1C)C#N

DOS

IR

Vibrations