Geometry & MOs

Info

ID:	37477
PubChem CID:	8021482
Reduced:	ClFO2H12C18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	396.027977
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	5.13
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations