Geometry & MOs

Info

ID:	397778
PubChem CID:	135030721
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	5.47
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-2-oxo-3-(5-oxo-2H-furan-2-yl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C(C1=O)(C3C=CC(=O)O3)O

DOS

IR

Vibrations