Geometry & MOs

Info

ID:	391544
PubChem CID:	135006426
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	280.096026
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	2.5
IP(EA), eV:	-8.9(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-1-(3-nitrophenyl)triazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@@H](C(=NO1)C2=C(C=C(C=C2OC)OC)OC)C3=CC=CC=C3

DOS

IR

Vibrations