Geometry & MOs

Info

ID:	328640
PubChem CID:	126726196
Reduced:	S2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	106.9
Dipole, Da:	3.18
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-hexylfuran-3-yl)-2-(5-methyl-1H-pyrazol-3-yl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=NC=CC(=C2)C3=CC4=C(S3)SC(=C4)C

DOS

IR

Vibrations