Geometry & MOs

Info

ID:	435469
PubChem CID:	135191559
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-134.57
Dipole, Da:	3.98
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(2-methylbutanoyl)-5-(pyrrolidin-1-ylamino)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1O)NN4CCCC(C4)O

DOS

IR

Vibrations