Geometry & MOs

Info

ID:	262808
PubChem CID:	103319395
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	351.07464
ΔH_f, kcal/mol:	64.33
Dipole, Da:	4.56
IP(EA), eV:	-8.5(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-butyl-7-(3-fluorophenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C3=NCCC(N3N2)C4=CC=CC=C4)Br

DOS

IR

Vibrations