Geometry & MOs

Info

ID:	435327
PubChem CID:	135191208
Reduced:	NO2C10H23 (1)
Stoich.:	AB2C10D23 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	1.57
IP(EA), eV:	-9.25(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR)-2-[3-(methylideneamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCC(C)CNC(COC)O

DOS

IR

Vibrations