Geometry & MOs

Info

ID:	155192
PubChem CID:	56322606
Reduced:	INF3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	438.04404
ΔH_f, kcal/mol:	-220.72
Dipole, Da:	2.16
IP(EA), eV:	-8.85(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-iodo-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)C(F)(F)F)I)OC

DOS

IR

Vibrations