Geometry & MOs

Info

ID:	140581
PubChem CID:	52722906
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	344.042466
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	2.13
IP(EA), eV:	-8.78(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-N-[2-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)[C@H]3CCCN(C3)C(=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations