Geometry & MOs

Info

ID:	367908
PubChem CID:	127326081
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	359.175753
ΔH_f, kcal/mol:	10.98
Dipole, Da:	7.44
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations