Geometry & MOs

Info

ID:	204179
PubChem CID:	79925716
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-69.83
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-aminophenyl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(CC2=O)CC3=C(C=C(C=C3)N)Br

DOS

IR

Vibrations