Geometry & MOs

Info

ID:	144731
PubChem CID:	53403308
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	215.99499
ΔH_f, kcal/mol:	34.47
Dipole, Da:	2.82
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoethyl)-2-fluoro-1-methylbenzene

Drug info:

PubChemData

Smile

CCN1C=C(N=C1N)CC2=CC=CC=C2Cl

DOS

IR

Vibrations