Geometry & MOs

Info

ID:	361652
PubChem CID:	127303984
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	9.58
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations