Geometry & MOs

Info

ID:	261176
PubChem CID:	103221357
Reduced:	ClINOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	410.98869
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	3.17
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodobenzamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations