Geometry & MOs

Info

ID:	53999
PubChem CID:	14719328
Reduced:	NO3C24H41 (1)
Stoich.:	AB3C24D41 (1)
Weight, g/mol:	411.254022
ΔH_f, kcal/mol:	-179.41
Dipole, Da:	3.19
IP(EA), eV:	-9.69(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C

DOS

IR

Vibrations