Geometry & MOs

Info

ID:	413381
PubChem CID:	135086330
Reduced:	NH13C15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	348.05048
ΔH_f, kcal/mol:	78.71
Dipole, Da:	3.36
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-bromo-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C)[N+]#[C-]

DOS

IR

Vibrations