Geometry & MOs

Info

ID:	238538
PubChem CID:	92741799
Reduced:	FO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	490.238019
ΔH_f, kcal/mol:	-172.59
Dipole, Da:	8.52
IP(EA), eV:	-8.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C3=C(N2C[C@]1(C)C(=O)NC4CCCC4)C=CC(=C3)F)NC(=O)C

DOS

IR

Vibrations