Geometry & MOs

Info

ID:	307139
PubChem CID:	125270160
Reduced:	N6O7C22H28 (1)
Stoich.:	A6B7C22D28 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-203.55
Dipole, Da:	7.89
IP(EA), eV:	-9.88(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3H-indol-6-yl)-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC[C@H](CO)OCN1CN=C2C1=NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations