Geometry & MOs

Info

ID:	147693
PubChem CID:	53787350
Reduced:	O5C32H36 (1)
Stoich.:	A5B32C36 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-147.47
Dipole, Da:	3.9
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-ethyl-4-(4-nitrophenyl)-4,5-dihydrotriazol-1-yl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC2=C1C3=CC=CC=C3C2=CCOC4=CC=C(C=C4)CC(C(=O)OCC)OCC

DOS

IR

Vibrations