Geometry & MOs

Info

ID:	83033
PubChem CID:	49857038
Reduced:	ClO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	411.121051
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	8.54
IP(EA), eV:	-8.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(C)(C)O

DOS

IR

Vibrations