Geometry & MOs

Info

ID:	355983
PubChem CID:	127290973
Reduced:	N2O2C13H22 (1)
Stoich.:	A2B2C13D22 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	4.74
IP(EA), eV:	-9.44(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NCC2CCC=CC2

DOS

IR

Vibrations