Geometry & MOs

Info

ID:	372999
PubChem CID:	131308444
Reduced:	SN3O3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	304.99128
ΔH_f, kcal/mol:	3.96
Dipole, Da:	4.12
IP(EA), eV:	-9.21(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-iodo-6-methoxy-3,4-dihydro-2H-chromen-3-amine

Drug info:

PubChemData

Smile

C1CN(C2=C1C(=NO2)C(=O)O)C3=NC=CS3

DOS

IR

Vibrations