Geometry & MOs

Info

ID:	83341
PubChem CID:	49857469
Reduced:	SiO7C39H66 (1)
Stoich.:	AB7C39D66 (1)
Weight, g/mol:	428.165541
ΔH_f, kcal/mol:	-423.36
Dipole, Da:	2.89
IP(EA), eV:	-8.72(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzyl-2-chloroindol-3-yl)-2-phenylmethoxypentanenitrile

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](O[C@]2(C1)C[C@@H](C[C@H](O2)[C@@H](/C(=C/CC[C@H](C)CC(=O)OC)/C)O)C)[C@H]([C@@H](C)COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations