Geometry & MOs

Info

ID:	262762
PubChem CID:	103314952
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	289.170274
ΔH_f, kcal/mol:	44.69
Dipole, Da:	6.0
IP(EA), eV:	-8.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(2-fluorophenyl)-6-methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCN=C3N2NC(=N3)CCN

DOS

IR

Vibrations