Geometry & MOs

Info

ID:	246000
PubChem CID:	103034655
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	5.84
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-methoxy-3-methylbutyl)-methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CCN1CCCC2=C(C=CC=C21)C(=O)O)OC

DOS

IR

Vibrations