Geometry & MOs

Info

ID:	22706
PubChem CID:	598390
Reduced:	NO2F6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	391.100698
ΔH_f, kcal/mol:	-357.25
Dipole, Da:	4.76
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl) N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C(F)(F)F)(C(F)(F)F)NC(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations