Geometry & MOs

Info

ID:	82937
PubChem CID:	49856846
Reduced:	ClO2N6H13C17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	382.094501
ΔH_f, kcal/mol:	62.31
Dipole, Da:	4.48
IP(EA), eV:	-8.02(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(/C(=C/2\C=C(C=CC2=O)Cl)/N1)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations