Geometry & MOs

Info

ID:	361617
PubChem CID:	127303883
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	6.77
IP(EA), eV:	-9.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(morpholin-4-ylmethyl)phenyl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations