Geometry & MOs

Info

ID:	347030
PubChem CID:	127271534
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	365.21147
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	2.46
IP(EA), eV:	-9.52(-0.95)
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-propylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CC=CC=N3)C(=O)NCC4CCOCC4

DOS

IR

Vibrations