Geometry & MOs

Info

ID:	171915
PubChem CID:	75439956
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	324.98105
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	2.24
IP(EA), eV:	-8.9(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-nitrophenyl)-2-(triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)CC2CC(=NO2)C3CCCCC3

DOS

IR

Vibrations