Geometry & MOs

Info

ID:	147349
PubChem CID:	53787005
Reduced:	FO2N3C28H28 (1)
Stoich.:	AB2C3D28E28 (1)
Weight, g/mol:	285.99933
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	7.21
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-phenoxy-4-prop-2-ynylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations