Geometry & MOs

Info

ID:	262811
PubChem CID:	103319456
Reduced:	BrN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	328.01352
ΔH_f, kcal/mol:	35.37
Dipole, Da:	4.61
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-(difluoromethyl)-2-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCC1=C(C2=NCC3CNCCC3N2N1)Br

DOS

IR

Vibrations