Geometry & MOs

Info

ID:	237828
PubChem CID:	92721807
Reduced:	FN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	4.76
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopentyl-2-(4-fluorophenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC3=C2C=C(C=C3)OC)C(=O)N1C4=CC=C(C=C4)F)C(=O)NC5CCCC5

DOS

IR

Vibrations