Geometry & MOs

Info

ID:	355477
PubChem CID:	127288540
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	0.74
IP(EA), eV:	-8.81(0.77)
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-(1,3,5-trimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC(C1CCCC1)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations