Geometry & MOs

Info

ID:	193202
PubChem CID:	78356083
Reduced:	N2F3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	1.93
IP(EA), eV:	-9.2(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C2)C3C1C(NN3)C(F)(F)F

DOS

IR

Vibrations