Geometry & MOs

Info

ID:	395040
PubChem CID:	135024497
Reduced:	H9C10 (2)
Stoich.:	A9B10 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	113.58
Dipole, Da:	0.89
IP(EA), eV:	-7.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3S)-3-(1H-indol-3-ylmethyl)-2,5-dioxopiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations