Geometry & MOs

Info

ID:	166996
PubChem CID:	74763497
Reduced:	ON7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	279.098332
ΔH_f, kcal/mol:	53.0
Dipole, Da:	7.42
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7E)-7-benzylidene-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC2=C3C(=NC=N2)N(C(=N3)C4=CC5=C(C=C4)C=CN5)C

DOS

IR

Vibrations