Geometry & MOs

Info

ID:	262804
PubChem CID:	103318739
Reduced:	BrN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	219.098332
ΔH_f, kcal/mol:	103.38
Dipole, Da:	3.81
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CN=C2C(=CNN2C1C3=CC=CC4=CC=CC=C43)Br

DOS

IR

Vibrations