Geometry & MOs

Info

ID:	367909
PubChem CID:	127326082
Reduced:	FO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	10.08
IP(EA), eV:	-9.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations