Geometry & MOs

Info

ID:	270190
PubChem CID:	103633036
Reduced:	OCl2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	270.032668
ΔH_f, kcal/mol:	-41.22
Dipole, Da:	4.94
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-(2,6-dichloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2C(=O)C3=C(N=C(C=C3)Cl)Cl

DOS

IR

Vibrations