Geometry & MOs

Info

ID:	126354
PubChem CID:	50961551
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	13.17
Dipole, Da:	7.63
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethyl)-4-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2ON1)C3=CC(=C(C=C3)OC)CN4C=CC=N4

DOS

IR

Vibrations