Geometry & MOs

Info

ID:	369393
PubChem CID:	127333015
Reduced:	F2N2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	384.120938
ΔH_f, kcal/mol:	-127.47
Dipole, Da:	8.46
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3CC(=O)N(C3)C4=CC(=CC(=C4)F)F)O

DOS

IR

Vibrations