Geometry & MOs

Info

ID:	184683
PubChem CID:	77192919
Reduced:	BrN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	430.220283
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	2.1
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy-3-methylbut-2-enyl]-4-hydroxy-2,3-dimethoxy-6-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CC(=C(C=C3)Br)OCCOC

DOS

IR

Vibrations