Geometry & MOs

Info

ID:	272967
PubChem CID:	103769269
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	359.03823
ΔH_f, kcal/mol:	1.32
Dipole, Da:	3.26
IP(EA), eV:	-9.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[1-(oxan-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)NCCCC2=NC=NN2

DOS

IR

Vibrations