Geometry & MOs

Info

ID:	392253
PubChem CID:	135013919
Reduced:	NPO10C45H82 (1)
Stoich.:	ABC10D45E82 (1)
Weight, g/mol:	336.172545
ΔH_f, kcal/mol:	-599.29
Dipole, Da:	3.01
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-acetyl-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-9-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCCON)OCC1=CC=C(C=C1)OC)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations