Geometry & MOs

Info

ID:	354297
PubChem CID:	127286261
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	359.186987
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	4.94
IP(EA), eV:	-8.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C1)C=C(C=C2)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations