Geometry & MOs

Info

ID:	143392
PubChem CID:	53202598
Reduced:	O2N7C21H25 (1)
Stoich.:	A2B7C21D25 (1)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	3.08
Dipole, Da:	2.7
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[4-(3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C(=CC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C)C

DOS

IR

Vibrations