Geometry & MOs

Info

ID:	354222
PubChem CID:	127286186
Reduced:	ClON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	15.71
Dipole, Da:	1.92
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=C(C(=CC=C3)Cl)N4C=CC=N4

DOS

IR

Vibrations