Geometry & MOs

Info

ID:	367910
PubChem CID:	127326083
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	8.94
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-1-(3-fluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)N3CCOC(C3)CN4C=NC=N4

DOS

IR

Vibrations