Geometry & MOs

Info

ID:	264604
PubChem CID:	103475038
Reduced:	BrNOF5C12H13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	259.056405
ΔH_f, kcal/mol:	-274.95
Dipole, Da:	4.38
IP(EA), eV:	-9.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[(3-fluorophenyl)methyl]indole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)CC(COCC(C(F)F)(F)F)N

DOS

IR

Vibrations