Geometry & MOs

Info

ID:	238537
PubChem CID:	92741795
Reduced:	FN4O4C26H35 (1)
Stoich.:	AB4C4D26E35 (1)
Weight, g/mol:	442.238019
ΔH_f, kcal/mol:	-221.36
Dipole, Da:	8.33
IP(EA), eV:	-8.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=C(C3=C(N2C[C@]1(C)C(=O)NC4CCCC4)C=CC(=C3)F)NC(=O)C

DOS

IR

Vibrations