Geometry & MOs

Info

ID:	272401
PubChem CID:	103741803
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	309.01645
ΔH_f, kcal/mol:	17.7
Dipole, Da:	8.26
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-fluoro-N-[(3-methoxyphenyl)methyl]aniline

Drug info:

PubChemData

Smile

CCC1(CCC1)CNC2=C(N=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations