Geometry & MOs

Info

ID:	361531
PubChem CID:	127303721
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	11.66
Dipole, Da:	7.09
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations