Geometry & MOs

Info

ID:	171908
PubChem CID:	75439270
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	317.190341
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	4.94
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)CC2=CC=CC=C2OCC3=CN=CC=C3

DOS

IR

Vibrations