Geometry & MOs

Info

ID:	268656
PubChem CID:	103600355
Reduced:	IO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	458.93309
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.78
IP(EA), eV:	-9.19(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC(=O)C2=C(C=CC(=C2)I)O)C

DOS

IR

Vibrations