Geometry & MOs

Info

ID:	19600
PubChem CID:	568781
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	63.35
Dipole, Da:	7.0
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C=NN=C1C2=CC=CC=C2

DOS

IR

Vibrations