Geometry & MOs

Info

ID:	183149
PubChem CID:	76983803
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	41.18
Dipole, Da:	4.18
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(1H-pyrazole-5-carbonylamino)ethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2NOC(=N2)C3=CNN=C3)N

DOS

IR

Vibrations