Geometry & MOs

Info

ID:	347727
PubChem CID:	127272789
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	43.84
Dipole, Da:	6.66
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=N2)C#N)Cl

DOS

IR

Vibrations