Geometry & MOs

Info

ID:	255707
PubChem CID:	103134145
Reduced:	NOSH11C18 (1)
Stoich.:	ABCD11E18 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	64.18
Dipole, Da:	3.29
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-bromo-1-[(5-methyloxolan-2-yl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C(=O)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations