Geometry & MOs

Info

ID:	183641
PubChem CID:	77047158
Reduced:	FN2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	307.097521
ΔH_f, kcal/mol:	-11.83
Dipole, Da:	1.47
IP(EA), eV:	-9.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-chlorophenyl)prop-2-enoyl]azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2C(C(NN2)N)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations