Geometry & MOs

Info

ID:	346766
PubChem CID:	127271270
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	393.206385
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	2.52
IP(EA), eV:	-8.96(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NC2CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations