Geometry & MOs

Info

ID:	204175
PubChem CID:	79923475
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	300.16602
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	2.16
IP(EA), eV:	-9.1(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-5-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN)C2CCOC3(C2)CCC3

DOS

IR

Vibrations