Geometry & MOs

Info

ID:	169141
PubChem CID:	75067887
Reduced:	ClFN2O2C24H24 (1)
Stoich.:	ABC2D2E24F24 (1)
Weight, g/mol:	410.176106
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	8.03
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-aminopropan-2-yl)-4-phenylcyclohexyl]oxy-7-chloro-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1OC2=CC3=CC=NC(=O)C3C=C2Cl)(C4=CC=CC=C4F)C5(CC5)N

DOS

IR

Vibrations