Geometry & MOs

Info

ID:	354184
PubChem CID:	127286148
Reduced:	F2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	393.177645
ΔH_f, kcal/mol:	-202.47
Dipole, Da:	6.88
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations