Geometry & MOs

Info

ID:	375354
PubChem CID:	131500065
Reduced:	ON4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	217.050571
ΔH_f, kcal/mol:	60.08
Dipole, Da:	5.82
IP(EA), eV:	-9.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-chloro-4-hydroxyphenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=NC=C(C(=C12)N)C#N

DOS

IR

Vibrations