Geometry & MOs

Info

ID:	83604
PubChem CID:	49858688
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	3.91
IP(EA), eV:	-9.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-azido-1-[(3S,4S)-5-methoxy-4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](CCO[C@H]1C2=CC=CC=C2)N=[N+]=[N-])O

DOS

IR

Vibrations