Geometry & MOs

Info

ID:	404662
PubChem CID:	135068821
Reduced:	NO6C37H49 (1)
Stoich.:	AB6C37D49 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	3.52
IP(EA), eV:	-8.61(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-phenyl-1-propan-2-yloxy-1H-isochromene

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC2[C@H](OC([C@H](C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)OC)(C)C)C

DOS

IR

Vibrations