Geometry & MOs

Info

ID:	172205
PubChem CID:	75479553
Reduced:	ON3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	22.22
Dipole, Da:	3.31
IP(EA), eV:	-9.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(3-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CN(CC(=O)NCCC1=CC=CO1)C2=NC=NC3=C2NC=N3

DOS

IR

Vibrations