Geometry & MOs

Info

ID:	145839
PubChem CID:	53600799
Reduced:	OSN6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	337.247775
ΔH_f, kcal/mol:	53.95
Dipole, Da:	4.85
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

CN(C)C1=NN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations