Geometry & MOs

Info

ID:	287976
PubChem CID:	104303743
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	2.35
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclooctyl-2-(6-methoxypyrimidin-4-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(CC2=CC(=NC=N2)OC)NC

DOS

IR

Vibrations