Geometry & MOs

Info

ID:	121150
PubChem CID:	50757403
Reduced:	F2O3N4C27H28 (1)
Stoich.:	A2B3C4D27E28 (1)
Weight, g/mol:	490.238019
ΔH_f, kcal/mol:	-171.86
Dipole, Da:	3.9
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-acetamido-N-cyclopentyl-2-(3-ethylphenyl)-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N(C(CN2C3=C1C=C(C=C3)F)(C)C(=O)NC4CCCC4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations