Geometry & MOs

Info

ID:	172656
PubChem CID:	75537107
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	418.9474
ΔH_f, kcal/mol:	-93.92
Dipole, Da:	5.29
IP(EA), eV:	-8.8(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-N-[1-(2-bromophenyl)ethyl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCN3[C@H](C2)CN(C3=O)C

DOS

IR

Vibrations