Geometry & MOs

Info

ID:	170798
PubChem CID:	75281326
Reduced:	ClFN3O3H27C28 (1)
Stoich.:	ABC3D3E27F28 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	3.97
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C=CC3=CC=CC=C3Cl)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations