Geometry & MOs

Info

ID:	386554
PubChem CID:	134982115
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	342.16198
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	3.61
IP(EA), eV:	-9.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2,3-dimethyl-9,18-dioxatetracyclo[17.3.1.14,8.011,16]tetracosa-1(23),2,4(24),5,7,11,13,15,19,21-decaene

Drug info:

PubChemData

Smile

CC/C(=C\C(=C)C)/[C@@H](C1=CC=C(C=C1)C(=O)OC)O

DOS

IR

Vibrations