Geometry & MOs

Info

ID:	189650
PubChem CID:	77884966
Reduced:	O5C22H38 (1)
Stoich.:	A5B22C38 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-266.61
Dipole, Da:	3.05
IP(EA), eV:	-9.6(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-ethyl-3-hydroxyoct-1-enyl)-2-bicyclo[2.2.1]heptanyl]acetonitrile

Drug info:

PubChemData

Smile

CCC(C)CCCCC=CC1CCCC1CC=CCC(C(C(=O)O)(O)O)O

DOS

IR

Vibrations