Geometry & MOs

Info

ID:

83303

PubChem CID:

49857426

Reduced:

ClO3N7C25H26 (1)

Stoich.:

AB3C7D25E26 (1)

Weight, g/mol:

483.122193

ΔHf, kcal/mol:

0.56

Dipole, Da:

7.69

IP(EA), eV:

 -8.3(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)CN2C=C(C(=N2)C3=C(C=CC(=C3)Cl)OC)NC(=O)C4=C5N=CC=CN5N=C4)C

DOS

IR

Vibrations