Geometry & MOs

Info

ID:	24072
PubChem CID:	607714
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	4.56
Dipole, Da:	8.14
IP(EA), eV:	-9.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCNC(=O)CN2C=NC(=N2)[N+](=O)[O-]

DOS

IR

Vibrations