Geometry & MOs

Info

ID:	26400
PubChem CID:	646618
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	6.21
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C2=CC3=CC(=CC(=C3NC2=O)C)C)C4=NN=NN4CC5CCCO5

DOS

IR

Vibrations