Geometry & MOs

Info

ID:	387966
PubChem CID:	134987569
Reduced:	CH2 (11)
Stoich.:	AB2 (11)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-40.19
Dipole, Da:	0.64
IP(EA), eV:	-9.13(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-2-tert-butyl-3-nitrobicyclo[2.2.1]hepta-2,5-diene

Drug info:

PubChemData

Smile

CCCC/C=C(\C)/C(C)CC

DOS

IR

Vibrations