Geometry & MOs

Info

ID:	204147
PubChem CID:	79919028
Reduced:	BrClN4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	66.61
Dipole, Da:	3.24
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NC2=NC=NC=C2N)Cl

DOS

IR

Vibrations