Geometry & MOs

Info

ID:	82335
PubChem CID:	49855903
Reduced:	O3F6N7H15C22 (1)
Stoich.:	A3B6C7D15E22 (1)
Weight, g/mol:	467.147265
ΔH_f, kcal/mol:	-250.46
Dipole, Da:	12.98
IP(EA), eV:	-9.1(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations