Geometry & MOs

Info

ID:	137285
PubChem CID:	52184249
Reduced:	O2N5C15H24 (1)
Stoich.:	A2B5C15D24 (1)
Weight, g/mol:	413.0288
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953779
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(ethoxymethyl)phenyl]methyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C[NH+]=C(N=C1N)N2CCC[C@H](C2)C(=O)N3CCOCC3

DOS

IR

Vibrations