Geometry & MOs

Info

ID:	45625
PubChem CID:	10515747
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	5.88
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,7R,9R,12S)-4,9-dimethyl-13-methylidene-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-14-one

Drug info:

PubChemData

Smile

C/C=C/C1=C([C@@H]([C@@H]2[C@](C1=O)(O2)CC=C(C)C)O)CO

DOS

IR

Vibrations