Geometry & MOs

Info

ID:	439059
PubChem CID:	135228822
Reduced:	BrFO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	299.224915
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	2.32
IP(EA), eV:	-9.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]phenyl]butan-1-ol

Drug info:

PubChemData

Smile

COC(C1=C(C(=CC=C1)F)Br)O

DOS

IR

Vibrations