Geometry & MOs

Info

ID:	266555
PubChem CID:	103570571
Reduced:	BrN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	76.84
Dipole, Da:	0.47
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-ethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)C2CC2)C3=CN(N=C3)CC

DOS

IR

Vibrations