Geometry & MOs

Info

ID:	20370
PubChem CID:	583403
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	16.65
Dipole, Da:	4.72
IP(EA), eV:	-8.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=CC=C(O3)C=C(C#N)C(=O)N

DOS

IR

Vibrations