Geometry & MOs

Info

ID:	310537
PubChem CID:	126581750
Reduced:	NO2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	6.0
IP(EA), eV:	-8.91(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-1-amino-3-(3-methyl-3,4-dihydro-1H-isochromen-7-yl)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCOCCC[C@@H]1CCC2=C(C1)C=CC(=C2)[C@@H](CCCO)CN

DOS

IR

Vibrations