Geometry & MOs

Info

ID:	318141
PubChem CID:	126649076
Reduced:	BrN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	58.64
Dipole, Da:	6.6
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloro-2-cyclopentyloxyphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)N1C=CC2=C1C=C(C=C2Br)C#N

DOS

IR

Vibrations