Geometry & MOs

Info

ID:	354294
PubChem CID:	127286258
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	10.3
Dipole, Da:	6.57
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-pyrazol-1-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NC3=CC(=C(C=C3)N4C=CC=N4)Cl

DOS

IR

Vibrations