Geometry & MOs

Info

ID:	204183
PubChem CID:	79926087
Reduced:	BrN2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	276.200177
ΔH_f, kcal/mol:	16.41
Dipole, Da:	2.8
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCCN(CC2C1)CC3=CC(=CC=C3)Br

DOS

IR

Vibrations