Geometry & MOs

Info

ID:	148115
PubChem CID:	53787777
Reduced:	BrNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	345.07283
ΔH_f, kcal/mol:	5.52
Dipole, Da:	2.44
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(4-bromophenoxy)-1-methyl-3-phenylpiperidine

Drug info:

PubChemData

Smile

CN1CC[C@@H]([C@H](C1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations