Geometry & MOs

Info

ID:	340509
PubChem CID:	127262520
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	1.58
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxyphenyl)ethyl 1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C=C1)COC(=O)N2C=CC=N2

DOS

IR

Vibrations