Geometry & MOs

Info

ID:	436598
PubChem CID:	135205896
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	292.98984
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	0.2
IP(EA), eV:	-9.15(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;dichloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC[C@H]2C[C@@]3(CC[C@H]2O3)C(C)C

DOS

IR

Vibrations