Geometry & MOs

Info

ID:	262772
PubChem CID:	103316202
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	219.098332
ΔH_f, kcal/mol:	43.3
Dipole, Da:	4.26
IP(EA), eV:	-8.26(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)C1=CC2=NCCC(N2N1)C3=CC=CC=C3C

DOS

IR

Vibrations