Geometry & MOs

Info

ID:	399563
PubChem CID:	135040933
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	200.064886
ΔH_f, kcal/mol:	19.35
Dipole, Da:	1.85
IP(EA), eV:	-7.99(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-difluorocyclohepta-2,4,6-triene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)CNC2=CC=C(C=C2)C

DOS

IR

Vibrations