Geometry & MOs

Info

ID:	342488
PubChem CID:	127265643
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	21.91
Dipole, Da:	4.44
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CCN2CCN(CC2)CC3=NOC=C3

DOS

IR

Vibrations