Geometry & MOs

Info

ID:	221394
PubChem CID:	85272409
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	3.52
IP(EA), eV:	-8.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-(1-hydroxy-1-phenylpropan-2-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCC=NNC1=C(C=C(C=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations