Geometry & MOs

Info

ID:	20364
PubChem CID:	583351
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	4.95
IP(EA), eV:	-9.78(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-tricyclo[4.2.1.12,5]dec-3-enyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1CC2C3CC(C1C2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C3

DOS

IR

Vibrations