Geometry & MOs

Info

ID:	262768
PubChem CID:	103315611
Reduced:	F3N3C14H14 (1)
Stoich.:	A3B3C14D14 (1)
Weight, g/mol:	281.113982
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	4.04
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methylphenyl)-2-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCN=C3N2NC(=C3)C(F)(F)F

DOS

IR

Vibrations