Geometry & MOs

Info

ID:	435200
PubChem CID:	135184283
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	345.096085
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	1.71
IP(EA), eV:	-9.99(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C1(CC1)CO

DOS

IR

Vibrations