Geometry & MOs

Info

ID:	435499
PubChem CID:	135191627
Reduced:	N6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	512.242356
ΔH_f, kcal/mol:	138.85
Dipole, Da:	4.33
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(N(N12)C)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5)C

DOS

IR

Vibrations