Geometry & MOs

Info

ID:	405261
PubChem CID:	135073233
Reduced:	BrFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	475.272259
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	3.01
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopentyl-11-methylideneheptadec-1-en-3,9-diyn-8-yl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)N(C)C2=CC=CC=C2Br)F

DOS

IR

Vibrations