Geometry & MOs

Info

ID:	233166
PubChem CID:	87692752
Reduced:	PO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	413.153796
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	3.22
IP(EA), eV:	-9.08(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylbenzoyl)-(1,1,1-trifluorobutan-2-yl)amino]-1-(1,1,1-trifluorobutan-2-yl)urea

Drug info:

PubChemData

Smile

C=CC/C(=C/CP(=O)(CC=C)O)/O

DOS

IR

Vibrations