Geometry & MOs

Info

ID:	264361
PubChem CID:	103457288
Reduced:	ClN2O2C14H25 (1)
Stoich.:	AB2C2D14E25 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	2.31
IP(EA), eV:	-9.08(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-2-hydroxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC(C(C(C)(C)C)O)O)CC

DOS

IR

Vibrations