Geometry & MOs

Info

ID:	120810
PubChem CID:	50745436
Reduced:	ClON4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	77.6
Dipole, Da:	8.73
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations