Geometry & MOs

Info

ID:	212719
PubChem CID:	81061606
Reduced:	BNO4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	4.41
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-yloxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)CN(C)CCOCC)OC)(O)O

DOS

IR

Vibrations