Geometry & MOs

Info

ID:	377056
PubChem CID:	134223092
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	3.19
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(CO1)C=C(C=C2)OC)N

DOS

IR

Vibrations