Geometry & MOs

Info

ID:	341943
PubChem CID:	127264636
Reduced:	ClNO3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	248.99199
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	3.75
IP(EA), eV:	-9.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-methylethanamine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)[C@@H](CO)N.Cl

DOS

IR

Vibrations