Geometry & MOs

Info

ID:	130905
PubChem CID:	51125767
Reduced:	ClFNO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-145.05
Dipole, Da:	3.09
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-phenylcyclobutyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(CNC(=O)C2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations