Geometry & MOs

Info

ID:	204194
PubChem CID:	79929193
Reduced:	SN3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	373.98162
ΔH_f, kcal/mol:	4.56
Dipole, Da:	2.31
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dibromophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)N2CCN3CCCCC3C2

DOS

IR

Vibrations