Geometry & MOs

Info

ID:	395555
PubChem CID:	135025789
Reduced:	SiO4C24H37 (1)
Stoich.:	AB4C24D37 (1)
Weight, g/mol:	381.07283
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756121
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CC1([C@@H]2[C@H](C[C@]([C]1CCO[Si](C)(C)C(C)(C)C)(O2)C=O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations