Geometry & MOs

Info

ID:	354005
PubChem CID:	127285662
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-158.19
Dipole, Da:	4.05
IP(EA), eV:	-9.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=CC=C2)F)C(=O)NCC3COCCO3

DOS

IR

Vibrations