Geometry & MOs

Info

ID:	270851
PubChem CID:	103638421
Reduced:	BrClON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	326.095269
ΔH_f, kcal/mol:	19.76
Dipole, Da:	5.44
IP(EA), eV:	-10.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azaspiro[5.5]undecan-3-yl-(2,6-dichloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC#N)C(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations