Geometry & MOs

Info

ID:	365103
PubChem CID:	127316845
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	4.98
IP(EA), eV:	-8.53(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=NN(C=C3OCC(C)C)C4=CC=CC=C4

DOS

IR

Vibrations