Geometry & MOs

Info

ID:	204214
PubChem CID:	79931792
Reduced:	SN3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	337.11536
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	4.25
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-bromophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(CCCN1CCN2CCCCC2C1)C(=S)N

DOS

IR

Vibrations