Geometry & MOs

Info

ID:	82199
PubChem CID:	49855749
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC(C=C2C(=C1)C(=O)OC)(C)C

DOS

IR

Vibrations