Geometry & MOs

Info

ID:	25731
PubChem CID:	629788
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	356.116092
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	6.49
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethyl)-4-phenyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione

Drug info:

PubChemData

Smile

CCN1C(=C(C2=CC(=C(C=C21)Br)O)C(=O)OCC)C

DOS

IR

Vibrations