Geometry & MOs

Info

ID:	314005
PubChem CID:	126619522
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	309.289246
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.31
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclododecyl-1,2,4,5,6,7,8,9-octahydropurin-6-amine

Drug info:

PubChemData

Smile

CC1=C2C(=C(N=C1C3=CC(CC3)OC(=O)C)OC)C=CC=N2

DOS

IR

Vibrations