Geometry & MOs

Info

ID:	238553
PubChem CID:	92741887
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	492.192818
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	4.24
IP(EA), eV:	-8.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-2-[(2-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=C5

DOS

IR

Vibrations