Geometry & MOs

Info

ID:	444892
PubChem CID:	135263883
Reduced:	NO4C30H33 (1)
Stoich.:	AB4C30D33 (1)
Weight, g/mol:	490.226786
ΔH_f, kcal/mol:	-133.4
Dipole, Da:	6.92
IP(EA), eV:	-8.75(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2-fluoro-5-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(6-methoxy-4-methylpyridin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(CC(=O)OC)C4=C(C=C(C=C4)OC)C)C

DOS

IR

Vibrations