Geometry & MOs

Info

ID:	353192
PubChem CID:	127284372
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	2.36
IP(EA), eV:	-9.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dioxo-4H-pyrazino[1,2-a]indol-2-yl)acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations