Geometry & MOs

Info

ID:	449814
PubChem CID:	135301776
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	227.076928
ΔH_f, kcal/mol:	28.61
Dipole, Da:	1.02
IP(EA), eV:	-8.2(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCCCC2=C(CCCC1)N(C3=CC=CC=C23)N

DOS

IR

Vibrations