Geometry & MOs

Info

ID:	435464
PubChem CID:	135191527
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	492.273656
ΔH_f, kcal/mol:	-134.66
Dipole, Da:	2.96
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-5-[4-[2-(diethylamino)ethoxy]-2-methylanilino]-2-(6,7-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\N1CCCC(C1)O)/O/C(=C\C2=CNC3=C2C=CC=N3)/C=O)/C

DOS

IR

Vibrations