Geometry & MOs

Info

ID:	445599
PubChem CID:	135268449
Reduced:	F2O3N6H20C25 (1)
Stoich.:	A2B3C6D20E25 (1)
Weight, g/mol:	145.089149
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-prop-1-ynylpyridine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)F)C2=NC=NC3=C2C(=CC(=C3)N4CCOCC4)F)C5C6=NC=CN=C6NC5=O

DOS

IR

Vibrations