Geometry & MOs

Info

ID:

82846

PubChem CID:

49856665

Reduced:

ClO3N8C23H23 (1)

Stoich.:

AB3C8D23E23 (1)

Weight, g/mol:

497.15783

ΔHf, kcal/mol:

36.12

Dipole, Da:

8.22

IP(EA), eV:

 -8.52(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(C1)NC(=O)CN2C=C(C(=N2)C3=C(C=CC(=C3)Cl)OC)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations