Geometry & MOs

Info

ID:	295045
PubChem CID:	117512661
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	7.44
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=CC(=C2OC)C3(CCCC3)C(=O)O

DOS

IR

Vibrations