Geometry & MOs

Info

ID:	82646
PubChem CID:	49856281
Reduced:	F3N3O3C28H34 (1)
Stoich.:	A3B3C3D28E34 (1)
Weight, g/mol:	466.16325
ΔH_f, kcal/mol:	-240.74
Dipole, Da:	7.81
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations