Geometry & MOs

Info

ID:	261147
PubChem CID:	103220066
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	478.91485
ΔH_f, kcal/mol:	-62.71
Dipole, Da:	2.16
IP(EA), eV:	-9.12(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=O)N(N=C1)CC(=O)N(C)CC

DOS

IR

Vibrations