Geometry & MOs

Info

ID:	223352
PubChem CID:	85334902
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	3.88
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 2-amino-2-(4-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

CCC(C)C1=NC(=O)C(=C(C)CC)N=C1

DOS

IR

Vibrations