Geometry & MOs

Info

ID:	302426
PubChem CID:	124361692
Reduced:	NO7H25C27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-248.75
Dipole, Da:	5.52
IP(EA), eV:	-9.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclooctylhexanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OC(=O)[C@@H](C4=CC=CC=C4)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations