Geometry & MOs

Info

ID:	204310
PubChem CID:	79945260
Reduced:	ON2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	2.18
IP(EA), eV:	-8.31(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CN2CC3CCCN3CC2C)CO

DOS

IR

Vibrations