Geometry & MOs

Info

ID:	179063
PubChem CID:	76429427
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	2.23
IP(EA), eV:	-9.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1H-indol-3-ylmethyl)-2-[(2-methylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CC4C(=O)NC(C(=O)N4C3)CO

DOS

IR

Vibrations