Geometry & MOs

Info

ID:	354204
PubChem CID:	127286168
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	1.25
Dipole, Da:	1.57
IP(EA), eV:	-8.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2NC(=O)N3CCCC3CN4CCCC4)C

DOS

IR

Vibrations