Geometry & MOs

Info

ID:	374968
PubChem CID:	131408269
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	332.98619
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	6.14
IP(EA), eV:	-9.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-amino-7-iodo-3,4-dihydro-2H-chromene-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C1=CC=CC(=C1Cl)C#N)N

DOS

IR

Vibrations