Geometry & MOs

Info

ID:	326438
PubChem CID:	126687548
Reduced:	Br2N2O3H12C16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	192.045426
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	4.32
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=CC2=N1)O)C(=O)C3=CC(=C(C(=C3)Br)O)Br

DOS

IR

Vibrations