Geometry & MOs

Info

ID:	83301
PubChem CID:	49857423
Reduced:	N2O3C26H34 (1)
Stoich.:	A2B3C26D34 (1)
Weight, g/mol:	452.136366
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	5.76
IP(EA), eV:	-8.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCOC(C3)C4=CC=CC=C4

DOS

IR

Vibrations