Geometry & MOs

Info

ID:	418065
PubChem CID:	135103455
Reduced:	ClON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	2.71
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC=C4)Cl

DOS

IR

Vibrations