Geometry & MOs

Info

ID:	127718
PubChem CID:	51012637
Reduced:	SiO6C31H44 (1)
Stoich.:	AB6C31D44 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-252.0
Dipole, Da:	4.63
IP(EA), eV:	-8.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)[C@@H]1C[C@@H](O[C@H]2C[C@@H]1OC2=O)[C@H](CCOCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations