Geometry & MOs

Info

ID:	86513
PubChem CID:	49886456
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-propoxyphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C(=O)CC#N

DOS

IR

Vibrations