Geometry & MOs

Info

ID:	269706
PubChem CID:	103618709
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	415.94247
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	1.98
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[(2-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

COCCN(C1CC1)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations