Geometry & MOs

Info

ID:	272962
PubChem CID:	103769051
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	4.79
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-N-(quinolin-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=C(C(=C(C=C2)OC)OC)Cl

DOS

IR

Vibrations