Geometry & MOs

Info

ID:	371954
PubChem CID:	131282485
Reduced:	N2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	212.096106
ΔH_f, kcal/mol:	35.91
Dipole, Da:	6.63
IP(EA), eV:	-8.53(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluoro-3-nitrophenyl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1)C=CC(=C2C)C#N

DOS

IR

Vibrations