Geometry & MOs

Info

ID:	349363
PubChem CID:	127275150
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	4.11
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN=C(O2)CN3CCCCC3C(=O)N4CCOCC4

DOS

IR

Vibrations