Geometry & MOs

Info

ID:	365885
PubChem CID:	127319137
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	48.96
Dipole, Da:	2.82
IP(EA), eV:	-8.76(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC(=NN3C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations