Geometry & MOs

Info

ID:	131912
PubChem CID:	51278809
Reduced:	ClN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	379.037813
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	2.82
IP(EA), eV:	-8.61(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations