Geometry & MOs

Info

ID:	143657
PubChem CID:	53244479
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	258.042072
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	2.11
IP(EA), eV:	-8.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-(2-pyridin-3-yltetrazol-5-yl)pyridine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCO

DOS

IR

Vibrations