Geometry & MOs

Info

ID:	438239
PubChem CID:	135227933
Reduced:	BrFO2N3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	218.121927
ΔH_f, kcal/mol:	32.82
Dipole, Da:	5.95
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-1-methyl-2H-pyridin-4-yl)-phenylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=C(C=CC=N2)F)NC3=C(C=CC(=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations