Geometry & MOs

Info

ID:	383248
PubChem CID:	134974871
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	299.069477
ΔH_f, kcal/mol:	-196.86
Dipole, Da:	3.23
IP(EA), eV:	-9.43(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-11H-benzo[a]carbazole-5,6-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCO[C@@H]1C[C@H]2CC(=C([C@H]2C1)C(=O)OCC)O

DOS

IR

Vibrations