Geometry & MOs

Info

ID:	373549
PubChem CID:	131316886
Reduced:	ON3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	43.47
Dipole, Da:	3.97
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-4-amino-5-bromo-3,4-dihydro-2H-chromen-6-yl]acetamide

Drug info:

PubChemData

Smile

C1COC2=CC(=CC(=C2[C@@H]1N)C#N)C#N

DOS

IR

Vibrations