Geometry & MOs

Info

ID:	82938
PubChem CID:	49856847
Reduced:	ClO2N6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	397.049715
ΔH_f, kcal/mol:	58.0
Dipole, Da:	9.16
IP(EA), eV:	-8.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,5-dichlorophenyl)-2-methylpyridin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)NC(=O)C2=C3N=CC=CN3N=C2)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations