Geometry & MOs

Info

ID:	161856
PubChem CID:	57392861
Reduced:	F2N3O5C27H35 (1)
Stoich.:	A2B3C5D27E35 (1)
Weight, g/mol:	307.123324
ΔH_f, kcal/mol:	-284.99
Dipole, Da:	3.65
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCC2=CC(=CC=C2)OC)O)N3CC[C@@H](C3=O)COC

DOS

IR

Vibrations