Geometry & MOs

Info

ID:	297572
PubChem CID:	117622188
Reduced:	FN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	412.224974
ΔH_f, kcal/mol:	-62.51
Dipole, Da:	2.97
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dihydroxycyclohexa-1,3-dien-1-yl)-8-(6-ethyl-3-methylcyclohex-2-en-1-yl)-7-methyl-3,4-dihydro-2H-chromene-3,5-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C/C=C(\CCC(=O)O)/C2=CN=C(N=C2)C3CC3

DOS

IR

Vibrations