Geometry & MOs

Info

ID:	372829
PubChem CID:	131305557
Reduced:	ClN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	308.94174
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	6.55
IP(EA), eV:	-9.73(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-iodo-3,4-dihydro-2H-chromen-3-amine

Drug info:

PubChemData

Smile

C1C(COC2=C1C(=CC(=C2)[N+](=O)[O-])Cl)N

DOS

IR

Vibrations