Geometry & MOs

Info

ID:	69668
PubChem CID:	47205134
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	262.122989
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	1.54
IP(EA), eV:	-8.84(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)COCC(CNC(=O)NC1=CC=CC=C1)O

DOS

IR

Vibrations