Geometry & MOs

Info

ID:	262765
PubChem CID:	103315436
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	17.5
Dipole, Da:	3.81
IP(EA), eV:	-8.12(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluoro-4-methylphenyl)-2,3-dimethyl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C2=NCCC(N2N1)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations