Geometry & MOs

Info

ID:	360367
PubChem CID:	127301012
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	74.64
Dipole, Da:	7.97
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-4H-pyrazino[1,2-a]indole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)N3CCCC(C3)N4C=NC=N4)C

DOS

IR

Vibrations