Geometry & MOs

Info

ID:	287781
PubChem CID:	104294379
Reduced:	O2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	91.03
Dipole, Da:	4.14
IP(EA), eV:	-9.9(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-5-nitrophenyl)-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations