Geometry & MOs

Info

ID:	293049
PubChem CID:	117372359
Reduced:	ClNOF2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	247.061136
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	3.22
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol

Drug info:

PubChemData

Smile

C1CC(C1)(CN)C2=C(C(=CC(=C2F)Cl)F)O

DOS

IR

Vibrations