Geometry & MOs

Info

ID:	56891
PubChem CID:	22394750
Reduced:	O4C7H14 (1)
Stoich.:	A4B7C14 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	3.03
IP(EA), eV:	-10.0(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-hydroxypropyl)-2-methoxyphenol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(OO)OO

DOS

IR

Vibrations