Geometry & MOs

Info

ID:	355480
PubChem CID:	127288543
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	7.27
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations