Geometry & MOs

Info

ID:	268659
PubChem CID:	103600359
Reduced:	BrINOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	456.95382
ΔH_f, kcal/mol:	13.97
Dipole, Da:	4.15
IP(EA), eV:	-9.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-butylphenyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations