Geometry & MOs

Info

ID:	203232
PubChem CID:	79796564
Reduced:	ION2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	255.101919
ΔH_f, kcal/mol:	-27.31
Dipole, Da:	5.11
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4-fluoro-3-nitrophenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CCC(C)(C(=O)NC1=C(C=C(C=C1)I)C)N

DOS

IR

Vibrations