Geometry & MOs

Info

ID:	279203
PubChem CID:	103842018
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	4.51
IP(EA), eV:	-9.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations