Geometry & MOs

Info

ID:	328964
PubChem CID:	126729651
Reduced:	N3O5H19C31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	295.129632
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	4.81
IP(EA), eV:	-9.08(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-hex-1-enyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)/C=C/C4=CC(=NC=C4)C5=NC(=CC(=C5)C(=O)O)C6=NC=CC(=C6)C(=O)O

DOS

IR

Vibrations