Geometry & MOs

Info

ID:	35611
PubChem CID:	7980098
Reduced:	NO2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074988
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2-prop-2-enoxyphenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C[NH2+]CC1=CC=CC=C1OCC=C)O

DOS

IR

Vibrations