Geometry & MOs

Info

ID:

82848

PubChem CID:

49856667

Reduced:

ClO3N7C25H26 (1)

Stoich.:

AB3C7D25E26 (1)

Weight, g/mol:

495.14218

ΔHf, kcal/mol:

-1.23

Dipole, Da:

10.21

IP(EA), eV:

 -8.56(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)NC5CCCCC5

DOS

IR

Vibrations