Geometry & MOs

Info

ID:	242451
PubChem CID:	96100179
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	0.38
Dipole, Da:	2.26
IP(EA), eV:	-9.39(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)cyclobutyl]-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)[C@@H](C)N3C=CC=N3

DOS

IR

Vibrations