Geometry & MOs

Info

ID:	322025
PubChem CID:	126668310
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	563.230788
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	0.93
IP(EA), eV:	-9.01(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-(2,2-diphenylpropanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC=CO2

DOS

IR

Vibrations