Geometry & MOs

Info

ID:	237823
PubChem CID:	92721796
Reduced:	N3O3C28H39 (1)
Stoich.:	A3B3C28D39 (1)
Weight, g/mol:	495.32094
ΔH_f, kcal/mol:	-134.29
Dipole, Da:	5.73
IP(EA), eV:	-8.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)N2C(=O)C3=CC4=C(N3C[C@]2(C)C(=O)NC5CCCCC5)C=C(C=C4)OC

DOS

IR

Vibrations