Geometry & MOs

Info

ID:	324818
PubChem CID:	126678404
Reduced:	ClN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	310.88066
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-iodo-N-methylaniline

Drug info:

PubChemData

Smile

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)C(=O)C4=C(C=CC(=C4)O)O

DOS

IR

Vibrations