Geometry & MOs

Info

ID:	261466
PubChem CID:	103235164
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	6.27
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(tert-butylamino)methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCOC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations