Geometry & MOs

Info

ID:	197760
PubChem CID:	78992197
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	328.06088
ΔH_f, kcal/mol:	7.87
Dipole, Da:	1.52
IP(EA), eV:	-8.95(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC(C)C(=NO)N

DOS

IR

Vibrations