Geometry & MOs

Info

ID:	234177
PubChem CID:	92297871
Reduced:	BrClNH21C24 (1)
Stoich.:	ABCD21E24 (1)
Weight, g/mol:	437.05459
ΔH_f, kcal/mol:	73.39
Dipole, Da:	2.68
IP(EA), eV:	-8.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,7S,13S,17S)-10-bromo-2-(4-chlorophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@H]1CN3[C@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)Br)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations