Geometry & MOs

Info

ID:	268658
PubChem CID:	103600357
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	456.95382
ΔH_f, kcal/mol:	-129.24
Dipole, Da:	5.1
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(4-ethylphenyl)methyl]-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)C(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations