Geometry & MOs

Info

ID:	35610
PubChem CID:	7980097
Reduced:	ClNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	222.149404
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-2-hydroxypropyl]-[(2-prop-2-enoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)Cl)OC(=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations