Geometry & MOs

Info

ID:	83500
PubChem CID:	49857665
Reduced:	NO9C23H39 (1)
Stoich.:	AB9C23D39 (1)
Weight, g/mol:	259.110947
ΔH_f, kcal/mol:	-460.85
Dipole, Da:	2.34
IP(EA), eV:	-9.9(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1-methylindol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC(=O)C(C)(C)C)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O

DOS

IR

Vibrations