Geometry & MOs

Info

ID:	341914
PubChem CID:	127264607
Reduced:	NO5C28H29 (1)
Stoich.:	AB5C28D29 (1)
Weight, g/mol:	254.92172
ΔH_f, kcal/mol:	-159.83
Dipole, Da:	8.37
IP(EA), eV:	-8.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-chlorophenyl)methanamine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H](C=C3CC4(CC[C@H]3[C@@H]2C(=O)N(C5=CC=CC=C5)C6=CC=CC=C6)OCCO4)C(=O)O1

DOS

IR

Vibrations