Geometry & MOs

Info

ID:	320808
PubChem CID:	126663622
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	291.123243
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-ethynyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]pentanedinitrile

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC1CC(=CC=C1)C(C)CC#N

DOS

IR

Vibrations