Geometry & MOs

Info

ID:	182139
PubChem CID:	76852209
Reduced:	FON4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	348.156181
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	2.12
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-tert-butylphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=C(C(=C2N)C3=CC=C(C=C3)F)COC

DOS

IR

Vibrations