Geometry & MOs

Info

ID:	172055
PubChem CID:	75460580
Reduced:	O3N5H27C34 (1)
Stoich.:	A3B5C27D34 (1)
Weight, g/mol:	368.176775
ΔH_f, kcal/mol:	93.92
Dipole, Da:	5.55
IP(EA), eV:	-8.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(C=C3)COC4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations