Geometry & MOs

Info

ID:	346757
PubChem CID:	127271261
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	379.22712
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	2.44
IP(EA), eV:	-8.85(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations