Geometry & MOs

Info

ID:	46563
PubChem CID:	10525249
Reduced:	BrNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	403.11469
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	4.03
IP(EA), eV:	-7.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidin-1-ium-3-yl]-phenylmethanone;bromide

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=C(C=C2)NCC3=CC(=C(C=C3Br)OC)OC)C

DOS

IR

Vibrations