Geometry & MOs

Info

ID:	394254
PubChem CID:	135022644
Reduced:	NOC14H14 (2)
Stoich.:	ABC14D14 (2)
Weight, g/mol:	384.02224
ΔH_f, kcal/mol:	65.52
Dipole, Da:	5.91
IP(EA), eV:	-7.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy-[(3R,4R)-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-phenyl-lambda3-iodane

Drug info:

PubChemData

Smile

CC1(/C(=C\C2=C(C(=O)C2=O)/C=C\3/N(C4=CC=CC=C4C3(C)C)C)/N(C5=CC=CC=C15)C)C

DOS

IR

Vibrations