Geometry & MOs

Info

ID:	237840
PubChem CID:	92721894
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	4.26
IP(EA), eV:	-8.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-benzyl-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC3=C(N2C[C@@]1(C4=CC=CC=C4)C(=O)NC5CCCCCC5)C=CS3

DOS

IR

Vibrations