Geometry & MOs

Info

ID:	195072
PubChem CID:	78630052
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	67.77
Dipole, Da:	8.56
IP(EA), eV:	-8.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylphenoxy)methyl]-4-[(4-morpholin-4-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations