Geometry & MOs

Info

ID:	83037
PubChem CID:	49857042
Reduced:	ClO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	460.147073
ΔH_f, kcal/mol:	-6.26
Dipole, Da:	8.74
IP(EA), eV:	-8.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(difluoromethoxy)-5-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CN1C(=C(C=N1)NC(=O)C2=C3N=CC=CN3N=C2)C4=C(C=CC(=C4)Cl)OC)O

DOS

IR

Vibrations