Geometry & MOs

Info

ID:	346661
PubChem CID:	127271165
Reduced:	N7C12H13 (1)
Stoich.:	A7B12C13 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	126.57
Dipole, Da:	8.98
IP(EA), eV:	-9.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=NN=C(N2C1)CCNC3=NC=CN=C3C#N

DOS

IR

Vibrations