Geometry & MOs

Info

ID:	84195
PubChem CID:	49864966
Reduced:	NO7H25C26 (1)
Stoich.:	AB7C25D26 (1)
Weight, g/mol:	530.135083
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	7.65
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-cyclohexyl-5-(trifluoromethyl)pyridin-2-yl]-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=CC=C1)CC(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations