Geometry & MOs

Info

ID:	271177
PubChem CID:	103646760
Reduced:	FN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	3.56
IP(EA), eV:	-9.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(hydroxymethyl)oxan-4-yl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CCC(CC)CNC1=NC=NC(=C1F)C

DOS

IR

Vibrations