Geometry & MOs

Info

ID:	178619
PubChem CID:	76357018
Reduced:	FN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	7.2
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC(=C(C=C2)N3CCOCC3)F)OC

DOS

IR

Vibrations