Geometry & MOs

Info

ID:	149224
PubChem CID:	53788896
Reduced:	NSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	32.09
Dipole, Da:	1.99
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenyl)-2-nitrosoethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=C3C=CSC3=CC=C2

DOS

IR

Vibrations