Geometry & MOs

Info

ID:	258287
PubChem CID:	103152582
Reduced:	FN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	293.146345
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	7.76
IP(EA), eV:	-10.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-amine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(C=NC=C1)F

DOS

IR

Vibrations