Geometry & MOs

Info

ID:	435462
PubChem CID:	135191521
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	2.65
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2-(3-methylpentylamino)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)O)NCC2CCCCN2

DOS

IR

Vibrations