Geometry & MOs

Info

ID:	346747
PubChem CID:	127271251
Reduced:	O2F3N4C17H29 (1)
Stoich.:	A2B3C4D17E29 (1)
Weight, g/mol:	387.170668
ΔH_f, kcal/mol:	-284.13
Dipole, Da:	6.26
IP(EA), eV:	-9.43(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NCC2CCN(C2)CC(F)(F)F

DOS

IR

Vibrations