Geometry & MOs

Info

ID:	155184
PubChem CID:	56320933
Reduced:	OSF3N4H19C21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	419.09574
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	4.01
IP(EA), eV:	-9.09(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4,5-dimethoxy-N-(6-methylheptan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CSC(=N3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations