Geometry & MOs

Info

ID:	238554
PubChem CID:	92741889
Reduced:	ClO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	492.192818
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	3.81
IP(EA), eV:	-8.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@](CN2C3=CC=CC=C31)(C)C(=O)NC4CCCC4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations