Geometry & MOs

Info

ID:	355424
PubChem CID:	127288487
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	88.82
Dipole, Da:	3.65
IP(EA), eV:	-9.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=NC=N3)N4C=NC=N4

DOS

IR

Vibrations