Geometry & MOs

Info

ID:	47183
PubChem CID:	10530418
Reduced:	NOC8H8 (4)
Stoich.:	ABC8D8 (4)
Weight, g/mol:	537.310376
ΔH_f, kcal/mol:	-71.3
Dipole, Da:	4.3
IP(EA), eV:	-8.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[acetyl(2-phenylethyl)amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)C[C@H](C3=NC(=C(N3)C)C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations