Geometry & MOs

Info

ID:	49643
PubChem CID:	11533439
Reduced:	NO4C31H51 (1)
Stoich.:	AB4C31D51 (1)
Weight, g/mol:	502.06026
ΔH_f, kcal/mol:	-228.65
Dipole, Da:	2.94
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-(4-chlorophenyl)cyclopropylidene]-1,1-diphenyl-2-phenylselanylethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@@H]([C@H](C(=O)OC(C)(C)C)NCC1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations