Geometry & MOs

Info

ID:	357672
PubChem CID:	127294346
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	7.1
IP(EA), eV:	-8.27(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)CC(=O)NCC3=CC=CC=C3CN4CCCC4=O

DOS

IR

Vibrations