Geometry & MOs

Info

ID:	251763
PubChem CID:	103106754
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	365.04004
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	7.19
IP(EA), eV:	-8.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-fluoro-4-iodoanilino)-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=C(C=C1)[N+](=O)[O-])N

DOS

IR

Vibrations