Geometry & MOs

Info

ID:	361874
PubChem CID:	127304868
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	7.29
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)C3CCCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations