Geometry & MOs

Info

ID:	170310
PubChem CID:	75215670
Reduced:	N5O6C14H23 (1)
Stoich.:	A5B6C14D23 (1)
Weight, g/mol:	510.261754
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	7.19
IP(EA), eV:	-9.25(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,8,10-pentahydroxy-9,11-bis(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6,7a,8,9,10,11,11a-octahydrobenzo[c]xanthen-7-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1CC(CN2CCOCC2)OCOC(=O)CN)[N+](=O)[O-]

DOS

IR

Vibrations