Geometry & MOs

Info

ID:	420682
PubChem CID:	135114659
Reduced:	N2C13H15 (2)
Stoich.:	A2B13C15 (2)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	72.31
Dipole, Da:	4.68
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(4,7,8-trimethylquinolin-2-yl)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CC5=CC=C(C=C5)CCN

DOS

IR

Vibrations