Geometry & MOs

Info

ID:	436296
PubChem CID:	135198355
Reduced:	FNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	264.225329
ΔH_f, kcal/mol:	-172.49
Dipole, Da:	9.36
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(E)-[(2S)-2-fluoro-4-methylcycloheptylidene]methyl]bicyclo[5.2.0]nonane

Drug info:

PubChemData

Smile

C1COCC1CN2C=C(C(=O)C(=C2)C(=O)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations