Geometry & MOs

Info

ID:	238561
PubChem CID:	92741915
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	4.55
IP(EA), eV:	-8.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-[(1S)-1-phenylethyl]-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)C5CCCC5

DOS

IR

Vibrations