Geometry & MOs

Info

ID:	226478
PubChem CID:	87457460
Reduced:	ClO4C5H11 (1)
Stoich.:	AB4C5D11 (1)
Weight, g/mol:	636.205891
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	4.83
IP(EA), eV:	-12.31(-4.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[3,5-bis(trifluoromethyl)phenyl]-4-[2-(4-methoxyphenyl)ethylcarbamoyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)COCl(=O)(=O)=O

DOS

IR

Vibrations