Geometry & MOs

Info

ID:	208035
PubChem CID:	80482787
Reduced:	BrNSO2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	342.07653
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.41
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)methyl]-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC2=C(C=CS2)Br)O

DOS

IR

Vibrations