Geometry & MOs

Info

ID:	435201
PubChem CID:	135184416
Reduced:	N3O6H15C16 (1)
Stoich.:	A3B6C15D16 (1)
Weight, g/mol:	384.14337
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	6.3
IP(EA), eV:	-9.4(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(NC=C2/C=C\3/C(=O)C(=C(O3)NCC(CO)O)C(=O)O)N=C1

DOS

IR

Vibrations