Geometry & MOs

Info

ID:	435470
PubChem CID:	135191562
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	4.73
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(cyclobutanecarbonyl)-5-[ethyl(methyl)amino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)NN4CCCC4

DOS

IR

Vibrations