Geometry & MOs

Info

ID:	193402
PubChem CID:	78391030
Reduced:	OCl2F3N4C18H21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	403.138672
ΔH_f, kcal/mol:	-185.64
Dipole, Da:	1.73
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(N2C(=N1)CC(N2)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations