Geometry & MOs

Info

ID:	421661
PubChem CID:	135116392
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	7.56
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[3-(2,5-dimethylphenoxy)propyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=C(C=C3)N4CCCC4)Cl

DOS

IR

Vibrations