Geometry & MOs

Info

ID:	252495
PubChem CID:	103111768
Reduced:	F2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	4.16
IP(EA), eV:	-10.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=CC=C2F)F)CN

DOS

IR

Vibrations