Geometry & MOs

Info

ID:	279971
PubChem CID:	103845995
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	294.96247
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C(C)N)Br

DOS

IR

Vibrations