Geometry & MOs

Info

ID:	230697
PubChem CID:	87571683
Reduced:	BrNO3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	4.26
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-10,10a-dihydro-1H-acridin-1-yl) (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)CBr)NC(=O)O

DOS

IR

Vibrations