Geometry & MOs

Info

ID:	28753
PubChem CID:	829365
Reduced:	O2F3N3H14C15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	325.103811
ΔH_f, kcal/mol:	-178.64
Dipole, Da:	5.23
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2N[C@@H](C[C@H](N2N=C1)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations