Geometry & MOs

Info

ID:	183532
PubChem CID:	77034488
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	5.39
IP(EA), eV:	-9.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butylanilino)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)N2CC(C2)C(=O)O

DOS

IR

Vibrations