Geometry & MOs

Info

ID:	237820
PubChem CID:	92721739
Reduced:	ClN3O4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	3.96
IP(EA), eV:	-9.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(2S)-butan-2-yl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl)CN3CC(=O)N4CCC[C@@H]4C3=O

DOS

IR

Vibrations