Geometry & MOs

Info

ID:	283165
PubChem CID:	103962029
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	272.01604
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	8.63
IP(EA), eV:	-8.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-1-(oxolan-3-ylmethyl)pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C(=O)C(=C2)Br)N

DOS

IR

Vibrations