Geometry & MOs

Info

ID:	382032
PubChem CID:	134972935
Reduced:	N5O7C15H25 (1)
Stoich.:	A5B7C15D25 (1)
Weight, g/mol:	332.17763
ΔH_f, kcal/mol:	-272.67
Dipole, Da:	5.43
IP(EA), eV:	-9.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R)-4-[3-[(1S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]deca-3,8-dienyl]propyl]tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@H](C(C1NC(=O)OC(C)(C)C)OC(=O)C)N)CN=[N+]=[N-]

DOS

IR

Vibrations