Geometry & MOs

Info

ID:	269701
PubChem CID:	103618681
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	442.93817
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	5.09
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=CC(=O)N(C=C2)C)C)Br

DOS

IR

Vibrations