Geometry & MOs

Info

ID:	237825
PubChem CID:	92721800
Reduced:	O2F3N3H24C25 (1)
Stoich.:	A2B3C3D24E25 (1)
Weight, g/mol:	479.12084
ΔH_f, kcal/mol:	-186.05
Dipole, Da:	5.52
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(4-bromo-3-methylphenyl)-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=CC=CC=C3C=C2C(=O)N1C4=CC=CC(=C4)C(F)(F)F)C(=O)NC5CCCC5

DOS

IR

Vibrations