Geometry & MOs

Info

ID:	82200
PubChem CID:	49855751
Reduced:	N4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	34.45
Dipole, Da:	4.35
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1CCCCCCC1)C2=NC=NC3=C2C=CN3

DOS

IR

Vibrations