Geometry & MOs

Info

ID:	303526
PubChem CID:	124489859
Reduced:	BrClON2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	131.013791
ΔH_f, kcal/mol:	-4.06
Dipole, Da:	3.37
IP(EA), eV:	-9.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-chloro-2H-pyran-2-amine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)Br

DOS

IR

Vibrations