Geometry & MOs

Info

ID:	81984
PubChem CID:	49855440
Reduced:	NO2C19H33 (1)
Stoich.:	AB2C19D33 (1)
Weight, g/mol:	313.188923
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	5.98
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[bis(hydroxymethyl)amino]methanol;(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O.CC(C)NC(C)C

DOS

IR

Vibrations