Geometry & MOs

Info

ID:	171833
PubChem CID:	75432187
Reduced:	FNOC9H13 (2)
Stoich.:	ABCD9E13 (2)
Weight, g/mol:	349.155705
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	4.01
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCOCC1CCN(CC1)C(=O)C(C2=C(C=CC=C2F)F)N(C)C

DOS

IR

Vibrations