Geometry & MOs

Info

ID:	354221
PubChem CID:	127286185
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	4.28
IP(EA), eV:	-8.61(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)NC2=CC=CC=C2OC3CCCC3

DOS

IR

Vibrations