Geometry & MOs

Info

ID:	269640
PubChem CID:	103618394
Reduced:	BrClN2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	413.99959
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(CCOC)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations