Geometry & MOs

Info

ID:	73891
PubChem CID:	48420941
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	254.143056
ΔH_f, kcal/mol:	-54.23
Dipole, Da:	8.21
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[(2-fluorophenyl)methyl]-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=CC=C(C=C1)C#N

DOS

IR

Vibrations