Geometry & MOs

Info

ID:	267416
PubChem CID:	103582158
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	288.99814
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	1.0
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=C(C(=NC=C2CO)C)O

DOS

IR

Vibrations