Geometry & MOs

Info

ID:	82761
PubChem CID:	49856478
Reduced:	ClO4N7C24H24 (1)
Stoich.:	AB4C7D24E24 (1)
Weight, g/mol:	489.112772
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	4.58
IP(EA), eV:	-8.25(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(2,2-difluoroethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCO1)C(=O)CN2C=C(C(=N2)C3=C(C=CC(=C3)Cl)OC)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations