Geometry & MOs

Info

ID:	441898
PubChem CID:	135246549
Reduced:	BrN3H6C7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	369.12013
ΔH_f, kcal/mol:	63.05
Dipole, Da:	2.63
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-[2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2=CC=NN2C(=C1)Br

DOS

IR

Vibrations