Geometry & MOs

Info

ID:	242975
PubChem CID:	99214674
Reduced:	FO3N4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	354.135526
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	4.95
IP(EA), eV:	-9.51(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)N[C@H](CN4CCCC4=O)C5=CC=CC=C5

DOS

IR

Vibrations