Geometry & MOs

Info

ID:	26093
PubChem CID:	638158
Reduced:	BrOPH20C21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	21.64
Dipole, Da:	15.21
IP(EA), eV:	-7.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(1R,2R,4aS,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one

Drug info:

PubChemData

Smile

CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations