Geometry & MOs

Info

ID:	171816
PubChem CID:	75429201
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	367.118651
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	0.71
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C(=O)NC(C)CC(=O)O)F)C

DOS

IR

Vibrations