Geometry & MOs

Info

ID:	283111
PubChem CID:	103959017
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	259.204848
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	2.64
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1N(CC)CC(C)(C)O)N

DOS

IR

Vibrations