Geometry & MOs

Info

ID:	307710
PubChem CID:	125308354
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	3.74
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-acetylpiperazin-1-yl)-2-[5-(cyanomethoxy)-2H-indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C/C=C/C(=O)NCC[C@H]1C=NC2=C1C=CC(=C2)OC

DOS

IR

Vibrations