Geometry & MOs

Info

ID:	169142
PubChem CID:	75067888
Reduced:	ClN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	460.285656
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	9.54
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-aminopropyl)-4-(4-propan-2-ylphenyl)cyclohexyl]oxy-7-chloro-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)(C1(CCC(CC1)OC2=CC3=CC=NC(=O)C3C=C2Cl)C4=CC=CC=C4)N

DOS

IR

Vibrations