Geometry & MOs

Info

ID:	271639
PubChem CID:	103686777
Reduced:	NO4C27H33 (1)
Stoich.:	AB4C27D33 (1)
Weight, g/mol:	325.150093
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	3.13
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(trifluoromethyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CCCC(C4C)C)C(=O)O

DOS

IR

Vibrations