Geometry & MOs

Info

ID:	82939
PubChem CID:	49856848
Reduced:	OCl2N5H13C19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	386.110294
ΔH_f, kcal/mol:	65.53
Dipole, Da:	7.64
IP(EA), eV:	-9.31(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-methyl-4-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations