Geometry & MOs

Info

ID:	190033
PubChem CID:	77944058
Reduced:	NO2C27H37 (1)
Stoich.:	AB2C27D37 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	1.16
IP(EA), eV:	-9.02(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7,15-trimethyl-14-oxo-5-tricyclo[8.7.0.011,15]heptadec-7-enyl) acetate

Drug info:

PubChemData

Smile

CC1CCC(CC(=CCC2C1CCC3(C2CC=C3C4=CN=CC=C4)C)C)OC(=O)C

DOS

IR

Vibrations