Geometry & MOs

Info

ID:	49532
PubChem CID:	11533194
Reduced:	OPC15H16 (2)
Stoich.:	ABC15D16 (2)
Weight, g/mol:	486.224261
ΔH_f, kcal/mol:	-41.24
Dipole, Da:	1.62
IP(EA), eV:	-8.61(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C[C@H](CC[C@@H](C)OP(C1=CC=CC=C1)C2=CC=CC=C2)OP(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations