Geometry & MOs

Info

ID:	79328
PubChem CID:	49748058
Reduced:	FON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	372.183778
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	1.82
IP(EA), eV:	-8.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)NC2CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations