Geometry & MOs

Info

ID:	339481
PubChem CID:	127261414
Reduced:	ON2C3H4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	257.066363
ΔH_f, kcal/mol:	20.61
Dipole, Da:	4.59
IP(EA), eV:	-9.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,8S,9R)-6-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-yl]formamide

Drug info:

PubChemData

Smile

CN1C(=NC=O)/C(=C\NO)/C=N1

DOS

IR

Vibrations