Geometry & MOs

Info

ID:	365136
PubChem CID:	127316920
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	70.89
Dipole, Da:	6.08
IP(EA), eV:	-8.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations