Geometry & MOs

Info

ID:	346665
PubChem CID:	127271169
Reduced:	SN6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	66.5
Dipole, Da:	5.89
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NCC3(CCCC3)N4CCSCC4)C

DOS

IR

Vibrations