Geometry & MOs

Info

ID:	361534
PubChem CID:	127303724
Reduced:	O3N6C19H30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-90.81
Dipole, Da:	6.4
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3)N4C=NC=N4

DOS

IR

Vibrations