Geometry & MOs

Info

ID:	361535
PubChem CID:	127303727
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-134.28
Dipole, Da:	2.49
IP(EA), eV:	-8.78(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenoxy]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)CCN3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations