Geometry & MOs

Info

ID:	73182
PubChem CID:	48417157
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	6.81
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-propanoylphenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)OCC

DOS

IR

Vibrations