Geometry & MOs

Info

ID:	26533
PubChem CID:	651374
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	494.167808
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	4.79
IP(EA), eV:	-9.06(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCC(CC2)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations