Geometry & MOs

Info

ID:	204294
PubChem CID:	79943763
Reduced:	SN3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	232.134241
ΔH_f, kcal/mol:	72.54
Dipole, Da:	2.2
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chloroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC3=CC=C(S3)C#CCN

DOS

IR

Vibrations