Geometry & MOs

Info

ID:	262789
PubChem CID:	103317727
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	251.098252
ΔH_f, kcal/mol:	57.19
Dipole, Da:	5.65
IP(EA), eV:	-9.16(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,5-difluorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN=C2N=C(NN2C1C3CCOC3)C4=CN=CC=C4

DOS

IR

Vibrations