Geometry & MOs

Info

ID:	202362
PubChem CID:	79663378
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	297.14887
ΔH_f, kcal/mol:	10.29
Dipole, Da:	5.45
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C(C)N)N2CCOC(C2)C#N

DOS

IR

Vibrations