Geometry & MOs

Info

ID:	237687
PubChem CID:	92720745
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	457.16164
ΔH_f, kcal/mol:	54.29
Dipole, Da:	8.79
IP(EA), eV:	-8.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=NN=C(S2)N3CCC[C@@H](C3)C(=O)NCCC4=CNC5=CC=CC=C54)C

DOS

IR

Vibrations