Geometry & MOs

Info

ID:	395269
PubChem CID:	135025051
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	308.068473
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	4.38
IP(EA), eV:	-8.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-5,7,17,19-tetraoxapentacyclo[12.7.0.02,10.04,8.016,20]henicosa-1(21),2,4(8),9,12,14,16(20)-heptaen-11-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=CC(=C(C=C3C(=CC2)CO)O)O

DOS

IR

Vibrations