Geometry & MOs

Info

ID:	285201
PubChem CID:	104098623
Reduced:	ON6C10H12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	266.052527
ΔH_f, kcal/mol:	48.06
Dipole, Da:	5.92
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)N)NCCN2C=CN=N2

DOS

IR

Vibrations