Geometry & MOs

Info

ID:	355473
PubChem CID:	127288536
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	3.51
IP(EA), eV:	-8.78(-0.2)
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-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations