Geometry & MOs

Info

ID:	137919
PubChem CID:	52283946
Reduced:	FO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	415.22712
ΔH_f, kcal/mol:	-143.1
Dipole, Da:	5.36
IP(EA), eV:	-8.51(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2CCCN2C(=O)NC3=C(C=CC(=C3)N4CCCC4=O)F

DOS

IR

Vibrations