Geometry & MOs

Info

ID:	270111
PubChem CID:	103628891
Reduced:	BrOCl2N3H6C11 (1)
Stoich.:	ABC2D3E6F11 (1)
Weight, g/mol:	338.06299
ΔH_f, kcal/mol:	19.18
Dipole, Da:	5.83
IP(EA), eV:	-9.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-bromo-2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)NC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations