Geometry & MOs

Info

ID:	435472
PubChem CID:	135191569
Reduced:	NC2H3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	57.36
Dipole, Da:	2.92
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-5-(4,5-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-2-(4-methylanilino)-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1C(=N)N=C(C=N1)C

DOS

IR

Vibrations