Geometry & MOs

Info

ID:	270106
PubChem CID:	103628391
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	6.65
IP(EA), eV:	-9.7(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(3-fluorophenyl)-N-methylhexanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations