Geometry & MOs

Info

ID:	352513
PubChem CID:	127283601
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	25.95
Dipole, Da:	4.12
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-4-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]pyrazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CSC2=NN=NN2C3CCCC3

DOS

IR

Vibrations