Geometry & MOs

Info

ID:	373778
PubChem CID:	131320040
Reduced:	FN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	3.76
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-amino-5-chloro-3,4-dihydro-2H-chromene-7-carboxylate

Drug info:

PubChemData

Smile

C1COC[C@@H](N1)C2=C(C=CC(=C2O)F)C#N

DOS

IR

Vibrations