Geometry & MOs

Info

ID:	262771
PubChem CID:	103315998
Reduced:	BrN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	73.0
Dipole, Da:	4.14
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methylphenyl)-2-pentan-2-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCC1=C(C2=NCCC(N2N1)C3=CC=CC=N3)Br

DOS

IR

Vibrations