Geometry & MOs

Info

ID:	193401
PubChem CID:	78391029
Reduced:	O2F3N6H21C22 (1)
Stoich.:	A2B3C6D21E22 (1)
Weight, g/mol:	436.104451
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	4.34
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-(2,4-dichlorophenyl)-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(N=C2C(CNN2C1C(F)(F)F)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CO5

DOS

IR

Vibrations