Geometry & MOs

Info

ID:	320605
PubChem CID:	126661990
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-164.83
Dipole, Da:	9.02
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6Z,9aS)-2,3,3a,9a-tetrahydro-1H-cyclopenta[8]annulen-5-ol

Drug info:

PubChemData

Smile

CN1CCC(CC1)COC2=CN=C(C=C2)C3=CCC(CC3)C(=O)NCC(CO)O

DOS

IR

Vibrations