Geometry & MOs

Info

ID:	83034
PubChem CID:	49857039
Reduced:	ClO2N7H18C19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	466.152016
ΔH_f, kcal/mol:	58.9
Dipole, Da:	6.47
IP(EA), eV:	-8.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[(1-hydroxycyclopentyl)methyl]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)CCN

DOS

IR

Vibrations