Geometry & MOs

Info

ID:	221378
PubChem CID:	85272328
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-34.6
Dipole, Da:	4.46
IP(EA), eV:	-8.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-cyano-2-(3-methylbut-2-enyl)pyrazol-3-yl]methanimidate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC2CC(=O)C=[N+]=[N-]

DOS

IR

Vibrations