Geometry & MOs

Info

ID:	179081
PubChem CID:	76430748
Reduced:	FO2N3C30H32 (1)
Stoich.:	AB2C3D30E32 (1)
Weight, g/mol:	428.107375
ΔH_f, kcal/mol:	-81.69
Dipole, Da:	0.16
IP(EA), eV:	-8.43(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)methyl]-7-(1H-indol-3-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)C3CC(CN(C3)CC4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)F

DOS

IR

Vibrations