Geometry & MOs

Info

ID:	24724
PubChem CID:	612765
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	31.19
Dipole, Da:	2.26
IP(EA), eV:	-9.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-phenyl-2-propyl-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)N(C(=N1)C2=CC=CC=C2)N

DOS

IR

Vibrations