Geometry & MOs

Info

ID:	53997
PubChem CID:	14719324
Reduced:	NO4C25H41 (1)
Stoich.:	AB4C25D41 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	-226.43
Dipole, Da:	2.11
IP(EA), eV:	-9.42(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[6,6-dimethyl-3-(octanoylamino)-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCC1CCC(C1)(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)C3(C)C)O

DOS

IR

Vibrations