Geometry & MOs

Info

ID:	262766
PubChem CID:	103315468
Reduced:	FN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	271.10448
ΔH_f, kcal/mol:	5.32
Dipole, Da:	2.31
IP(EA), eV:	-8.28(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCN=C3N2NC(=C3C)C)F

DOS

IR

Vibrations