Geometry & MOs

Info

ID:	396765
PubChem CID:	135029165
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	455.149463
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	2.55
IP(EA), eV:	-9.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,8S,9R)-6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)-4-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,5,10(15),11,13-pentaenylidene]oxidanium

Drug info:

PubChemData

Smile

CC(=O)C1(CC=CCN1)C

DOS

IR

Vibrations