Geometry & MOs

Info

ID:	435479
PubChem CID:	135191583
Reduced:	N3O6C26H29 (1)
Stoich.:	A3B6C26D29 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-164.03
Dipole, Da:	3.61
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-(2-methoxyethylamino)-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2H-pyran-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(O/C(=C(/C)\CC2=C(N=CC=C2)NC=C)/C1=O)NC3=C(C=C(C=C3)C)OCCO

DOS

IR

Vibrations