Geometry & MOs

Info

ID:	238533
PubChem CID:	92741767
Reduced:	FO3N4C28H31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	456.253669
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	7.0
IP(EA), eV:	-8.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3C[C@@]2(C)C(=O)NC5CCCC5)C=CC(=C4)F)NC(=O)C

DOS

IR

Vibrations