Geometry & MOs

Info

ID:	216739
PubChem CID:	85086705
Reduced:	N4O6C11H14 (1)
Stoich.:	A4B6C11D14 (1)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	3.46
IP(EA), eV:	-10.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11-trihydroxy-5-(hydroxymethyl)-6-methyl-11-propan-2-yl-9-oxatricyclo[6.2.1.02,6]undec-4-en-10-one

Drug info:

PubChemData

Smile

COC1=NC(=O)N=C2C1N=CN2C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations