Geometry & MOs

Info

ID:	53998
PubChem CID:	14719327
Reduced:	NO3C24H41 (1)
Stoich.:	AB3C24D41 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	-179.89
Dipole, Da:	4.47
IP(EA), eV:	-9.77(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S,5R)-6,6-dimethyl-3-(octanoylamino)-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC1CC2CC(C1C/C=C/CCCC(=O)O)C2(C)C

DOS

IR

Vibrations